N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine

C17H32N2 — CID 154980420

IUPACN-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine
SMILESC=C(C)N1CCCC(C)(NCCC(C)C2CC2)CC1
InChIInChI=1S/C17H32N2/c1-14(2)19-12-5-9-17(4,10-13-19)18-11-8-15(3)16-6-7-16/h15-16,18H,1,5-13H2,2-4H3
InChIKeyRFUYJTAGPABIOW-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.79
Rot. Bonds6

About N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine

N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine (PubChem CID 154980420) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine
PubChem CID154980420
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine
SMILESC=C(C)N1CCCC(C)(NCCC(C)C2CC2)CC1
InChIInChI=1S/C17H32N2/c1-14(2)19-12-5-9-17(4,10-13-19)18-11-8-15(3)16-6-7-16/h15-16,18H,1,5-13H2,2-4H3
InChIKeyRFUYJTAGPABIOW-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-prop-1-en-2-ylpiperidine
CID 12570653
1-methyl-N-(3-methylbut-3-enyl)cyclopropan-1-amine
CID 114472570
3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane
CID 177326278
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
1-(1-cyclopropyl-4-methylpentyl)-N,4-dimethylpiperidin-4-amine
CID 114276068
4-methylpent-4-en-2-ylcyclopropane
CID 123136187
2-cyclopropyl-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetic acid
CID 107405749
(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
CID 170576253
N-[2-(3-methoxypropoxy)ethyl]-1-methylcyclopentan-1-amine
CID 103178720
1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 107911469
N-cyclopropyl-3-[(1-methylcyclohexyl)amino]propanamide
CID 62627933

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine?
The IUPAC name of N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine (CID 154980420) is N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine.
What is the SMILES notation for N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine?
The canonical SMILES for N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine is C=C(C)N1CCCC(C)(NCCC(C)C2CC2)CC1.
What is the InChIKey of N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine?
The InChIKey is RFUYJTAGPABIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(2)19-12-5-9-17(4,10-13-19)18-11-8-15(3)16-6-7-16/h15-16,18H,1,5-13H2,2-4H3.
What are the key properties of N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine?
N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine has a molecular weight of 264.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylbutyl)-4-methyl-1-prop-1-en-2-ylazepan-4-amine is sourced from PubChem (CID 154980420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).