N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine

C17H34N2 — CID 65281916

IUPACN-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CCCC(C)(C)CC1
InChIInChI=1S/C17H34N2/c1-5-17(4,13-18-15-7-8-15)14-19-11-6-9-16(2,3)10-12-19/h15,18H,5-14H2,1-4H3
InChIKeyCYTZDSOHRJQGHU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 65281916) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID65281916
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CCCC(C)(C)CC1
InChIInChI=1S/C17H34N2/c1-5-17(4,13-18-15-7-8-15)14-19-11-6-9-16(2,3)10-12-19/h15,18H,5-14H2,1-4H3
InChIKeyCYTZDSOHRJQGHU-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 65281633
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
CID 107408778
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 114539578
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802
2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
CID 65282350
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
CID 107408780
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474785
N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
CID 62259536

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine (CID 65281916) is N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine is CCC(C)(CNC1CC1)CN1CCCC(C)(C)CC1.
What is the InChIKey of N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is CYTZDSOHRJQGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-17(4,13-18-15-7-8-15)14-19-11-6-9-16(2,3)10-12-19/h15,18H,5-14H2,1-4H3.
What are the key properties of N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 65281916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).