2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine

C13H26N2 — CID 103068857

IUPAC2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCCCCC1
InChIInChI=1S/C13H26N2/c1-12(2)14-10-13(3)11-15-8-6-4-5-7-9-15/h12,14H,3-11H2,1-2H3
InChIKeyQUSJGCKBMJMKPQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds5

About 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine

2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103068857) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103068857
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCCCCC1
InChIInChI=1S/C13H26N2/c1-12(2)14-10-13(3)11-15-8-6-4-5-7-9-15/h12,14H,3-11H2,1-2H3
InChIKeyQUSJGCKBMJMKPQ-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-methylprop-2-en-1-yl)piperidin-4-amine
CID 60694042
(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine
CID 88995207
N-methyl-N-prop-2-enylazepan-4-amine
CID 104979539
2-Ethyl-6-methylidene-1,4-diazepane
CID 129257505
5-methylidene-N-propan-2-ylazepan-4-amine
CID 155418729
N-methyl-5-(4-methylideneazepan-1-yl)pentan-1-amine
CID 156480785
N'-methyl-N-(7-methylazepan-4-yl)-N'-prop-2-enylpropane-1,3-diamine
CID 166854880
N-ethylprop-2-en-1-amine;1-propan-2-ylazepane
CID 172329005
Ethyl-(1-ethylpiperidin-1-ium-4-yl)-(2-methylprop-2-enyl)azanium
CID 2053554
Ethyl-(2-methylprop-2-enyl)-(1-propylpiperidin-1-ium-4-yl)azanium
CID 2056925
Ethyl-(1-methylpiperidin-1-ium-4-yl)-(2-methylprop-2-enyl)azanium
CID 6943234
N-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine
CID 43607257

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103068857) is 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is QUSJGCKBMJMKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)14-10-13(3)11-15-8-6-4-5-7-9-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103068857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).