6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine

C11H21NO — CID 177320019

IUPAC6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
SMILESC/C=C\OC(CCCCN)=C(C)C
InChIInChI=1S/C11H21NO/c1-4-9-13-11(10(2)3)7-5-6-8-12/h4,9H,5-8,12H2,1-3H3/b9-4-
InChIKeyPIYPABVTGJHBGZ-WTKPLQERSA-N
MW183.30 g/mol
LogP2.96
Rot. Bonds6

About 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine

6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine (PubChem CID 177320019) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine.

Molecular Properties

Compound Name6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
PubChem CID177320019
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
SMILESC/C=C\OC(CCCCN)=C(C)C
InChIInChI=1S/C11H21NO/c1-4-9-13-11(10(2)3)7-5-6-8-12/h4,9H,5-8,12H2,1-3H3/b9-4-
InChIKeyPIYPABVTGJHBGZ-WTKPLQERSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-Methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 12160618
3-(2-Methoxycyclohexa-1,4-dien-1-yl)propan-1-amine
CID 10964900
(4-Ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
(E)-6-methoxynon-6-en-1-amine
CID 143414744
(E)-5,8-dimethoxy-3-methylidenenon-4-en-1-amine
CID 166552161
3-[(2Z,7E)-3-methyl-5,6-dihydro-4H-oxocin-2-yl]propan-1-amine
CID 177319750
5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
CID 177319853
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
CID 177319959
4-(3,7-Dimethyl-4,5-dihydrooxepin-2-yl)butan-1-amine
CID 177320186
5-methyl-4-[(Z)-prop-1-enoxy]hex-4-en-1-amine
CID 177320203
(4E)-4-(methoxymethyl)octa-4,7-dien-1-amine
CID 103392186
(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine?
The IUPAC name of 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine (CID 177320019) is 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine.
What is the SMILES notation for 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine?
The canonical SMILES for 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine is C/C=C\OC(CCCCN)=C(C)C.
What is the InChIKey of 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine?
The InChIKey is PIYPABVTGJHBGZ-WTKPLQERSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9-13-11(10(2)3)7-5-6-8-12/h4,9H,5-8,12H2,1-3H3/b9-4-.
What are the key properties of 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine?
6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine is sourced from PubChem (CID 177320019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).