N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine

C14H27NO — CID 143792049

IUPACN-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine
SMILESC=C/C=C(\COC(CC)CCNC)C(C)C
InChIInChI=1S/C14H27NO/c1-6-8-13(12(3)4)11-16-14(7-2)9-10-15-5/h6,8,12,14-15H,1,7,9-11H2,2-5H3/b13-8+
InChIKeyGUCJSPHNNUKUGW-MDWZMJQESA-N
MW225.38 g/mol
LogP3.16
Rot. Bonds9

About N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine

N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine (PubChem CID 143792049) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine
PubChem CID143792049
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine
SMILESC=C/C=C(\COC(CC)CCNC)C(C)C
InChIInChI=1S/C14H27NO/c1-6-8-13(12(3)4)11-16-14(7-2)9-10-15-5/h6,8,12,14-15H,1,7,9-11H2,2-5H3/b13-8+
InChIKeyGUCJSPHNNUKUGW-MDWZMJQESA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 70304399
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
CID 88583271
4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine
CID 118535896
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
CID 135225387
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 143608911
4-[(E)-2-[(Z)-prop-1-enyl]pent-2-enoxy]piperidine
CID 143791987
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene
CID 143792048
(4E,6Z)-4-ethenyl-N-methyl-3-(2-methylcyclohepta-1,3,5-trien-1-yl)oxyocta-4,6-dien-1-amine
CID 143896624
(3Z,5Z)-2-methoxy-6-methylocta-1,3,5-triene;N-methylpentan-1-amine
CID 144302206

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine?
The IUPAC name of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine (CID 143792049) is N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine.
What is the SMILES notation for N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine?
The canonical SMILES for N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine is C=C/C=C(\COC(CC)CCNC)C(C)C.
What is the InChIKey of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine?
The InChIKey is GUCJSPHNNUKUGW-MDWZMJQESA-N. The full InChI is InChI=1S/C14H27NO/c1-6-8-13(12(3)4)11-16-14(7-2)9-10-15-5/h6,8,12,14-15H,1,7,9-11H2,2-5H3/b13-8+.
What are the key properties of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine?
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine is sourced from PubChem (CID 143792049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).