2-methyl-N-propan-2-ylhept-1-en-3-amine

C11H23N — CID 79411658

IUPAC2-methyl-N-propan-2-ylhept-1-en-3-amine
SMILESC=C(C)C(CCCC)NC(C)C
InChIInChI=1S/C11H23N/c1-6-7-8-11(9(2)3)12-10(4)5/h10-12H,2,6-8H2,1,3-5H3
InChIKeyHGIMLXWMNSGKSC-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds6

About 2-methyl-N-propan-2-ylhept-1-en-3-amine

2-methyl-N-propan-2-ylhept-1-en-3-amine (PubChem CID 79411658) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylhept-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylhept-1-en-3-amine
PubChem CID79411658
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-N-propan-2-ylhept-1-en-3-amine
SMILESC=C(C)C(CCCC)NC(C)C
InChIInChI=1S/C11H23N/c1-6-7-8-11(9(2)3)12-10(4)5/h10-12H,2,6-8H2,1,3-5H3
InChIKeyHGIMLXWMNSGKSC-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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

2-methyl-3-methylidene-N-propan-2-yldecan-4-amine
CID 134583641
N,2-dimethyloct-1-en-3-amine;ethane
CID 143152284
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(4R)-4-methyl-3-methylideneoctane
CID 10820618
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
2-methyl-N-propan-2-ylhexanamide
CID 19752015
N-(2-methylhexa-1,5-dien-3-yl)heptan-2-amine
CID 23109102
N,2,4-trimethyloct-1-en-3-imine
CID 123513691
3-methyl-N-prop-1-en-2-ylheptan-2-amine
CID 174298907
6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide
CID 166138006
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813
2-(1-carboxypentylamino)hexanoic acid
CID 22643835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylhept-1-en-3-amine?
The IUPAC name of 2-methyl-N-propan-2-ylhept-1-en-3-amine (CID 79411658) is 2-methyl-N-propan-2-ylhept-1-en-3-amine.
What is the SMILES notation for 2-methyl-N-propan-2-ylhept-1-en-3-amine?
The canonical SMILES for 2-methyl-N-propan-2-ylhept-1-en-3-amine is C=C(C)C(CCCC)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylhept-1-en-3-amine?
The InChIKey is HGIMLXWMNSGKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-7-8-11(9(2)3)12-10(4)5/h10-12H,2,6-8H2,1,3-5H3.
What are the key properties of 2-methyl-N-propan-2-ylhept-1-en-3-amine?
2-methyl-N-propan-2-ylhept-1-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylhept-1-en-3-amine is sourced from PubChem (CID 79411658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).