butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane

C23H49NO — CID 142549968

IUPACbutane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
SMILESC/C=C(\C=C/COC)CN(CC)C(C)CCCC.CCC.CCCC
InChIInChI=1S/C16H31NO.C4H10.C3H8/c1-6-9-11-15(4)17(8-3)14-16(7-2)12-10-13-18-5;1-3-4-2;1-3-2/h7,10,12,15H,6,8-9,11,13-14H2,1-5H3;3-4H2,1-2H3;3H2,1-2H3/b12-10-,16-7+;;
InChIKeyLEVKJIWPPJWHCQ-OZVNAIAVSA-N
MW355.65 g/mol
LogP7.26
Rot. Bonds11

About butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane

butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane (PubChem CID 142549968) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane.

Molecular Properties

Compound Namebutane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
PubChem CID142549968
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Namebutane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
SMILESC/C=C(\C=C/COC)CN(CC)C(C)CCCC.CCC.CCCC
InChIInChI=1S/C16H31NO.C4H10.C3H8/c1-6-9-11-15(4)17(8-3)14-16(7-2)12-10-13-18-5;1-3-4-2;1-3-2/h7,10,12,15H,6,8-9,11,13-14H2,1-5H3;3-4H2,1-2H3;3H2,1-2H3/b12-10-,16-7+;;
InChIKeyLEVKJIWPPJWHCQ-OZVNAIAVSA-N
XLogP7.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 70432496
2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
CID 123719607
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
(2E)-N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 140339732
ethane;5-ethenyl-6-[(Z)-3-methoxyprop-1-enyl]-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-4-amine
CID 141781946
ethane;(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550009
(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
CID 142550059
(Z,2E)-N-(cyclohexylmethyl)-2-ethylidene-N-hexyl-5-methoxypent-3-en-1-amine
CID 142550079
ethane;(2R)-2-ethyl-1-[2-[(Z,2E)-2-ethylidenepent-3-enoxy]ethyl]-1-methylpyrrolidin-1-ium
CID 142980175
ethane;N-[1-(3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-N-methylpropan-1-amine
CID 145352662
N,N-diethyl-1-methoxydodec-2-en-4-amine
CID 151436173
5-ethenyl-6-[(Z)-3-methoxyprop-1-enyl]-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-4-amine
CID 141781947

Frequently Asked Questions

What is the IUPAC name of butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane?
The IUPAC name of butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane (CID 142549968) is butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane.
What is the SMILES notation for butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane?
The canonical SMILES for butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane is C/C=C(\C=C/COC)CN(CC)C(C)CCCC.CCC.CCCC.
What is the InChIKey of butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane?
The InChIKey is LEVKJIWPPJWHCQ-OZVNAIAVSA-N. The full InChI is InChI=1S/C16H31NO.C4H10.C3H8/c1-6-9-11-15(4)17(8-3)14-16(7-2)12-10-13-18-5;1-3-4-2;1-3-2/h7,10,12,15H,6,8-9,11,13-14H2,1-5H3;3-4H2,1-2H3;3H2,1-2H3/b12-10-,16-7+;;.
What are the key properties of butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane?
butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane has a molecular weight of 355.65 g/mol, XLogP of 7.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane is sourced from PubChem (CID 142549968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).