(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine

C11H23N — CID 165095428

IUPAC(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine
SMILESCC(C)CC/C=C/CNC(C)C
InChIInChI=1S/C11H23N/c1-10(2)8-6-5-7-9-12-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/b7-5+
InChIKeyWWTYELQCIIFFPU-FNORWQNLSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine

(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine (PubChem CID 165095428) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine.

Molecular Properties

Compound Name(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine
PubChem CID165095428
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine
SMILESCC(C)CC/C=C/CNC(C)C
InChIInChI=1S/C11H23N/c1-10(2)8-6-5-7-9-12-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/b7-5+
InChIKeyWWTYELQCIIFFPU-FNORWQNLSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
CID 171552385
2,8-dimethylnon-4-ene
CID 54058844
(E)-2,11-dimethyldodec-5-ene
CID 168834978
2,9-dimethylundec-5-ene
CID 123952487
(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine
CID 170393482
5-methylhex-1-en-1-amine
CID 87108942
4,4-dimethyl-N-propan-2-ylpent-2-en-1-amine
CID 79007017
trimethyl(7-methyloct-3-enyl)azanium
CID 123575758
1,1,1-trifluoro-8-methylnon-4-ene
CID 123891498
(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine
CID 138745104
4-methyl-N-propan-2-ylhex-2-en-1-amine
CID 115278158
N-prop-2-enylpropan-2-amine
CID 520711

Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine?
The IUPAC name of (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine (CID 165095428) is (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine.
What is the SMILES notation for (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine?
The canonical SMILES for (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine is CC(C)CC/C=C/CNC(C)C.
What is the InChIKey of (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine?
The InChIKey is WWTYELQCIIFFPU-FNORWQNLSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)8-6-5-7-9-12-11(3)4/h5,7,10-12H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine?
(E)-6-methyl-N-propan-2-ylhept-2-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-N-propan-2-ylhept-2-en-1-amine is sourced from PubChem (CID 165095428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).