N-(cyclobutylmethyl)cycloheptanamine

C12H23N — CID 43298514

IUPACN-(cyclobutylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CCC2)CC1
InChIInChI=1S/C12H23N/c1-2-4-9-12(8-3-1)13-10-11-6-5-7-11/h11-13H,1-10H2
InChIKeyNSCURGUAYVDYDU-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds3

About N-(cyclobutylmethyl)cycloheptanamine

N-(cyclobutylmethyl)cycloheptanamine (PubChem CID 43298514) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)cycloheptanamine
PubChem CID43298514
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(cyclobutylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CCC2)CC1
InChIInChI=1S/C12H23N/c1-2-4-9-12(8-3-1)13-10-11-6-5-7-11/h11-13H,1-10H2
InChIKeyNSCURGUAYVDYDU-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[[4-(aminomethyl)cyclohexyl]methyl]cyclobutanamine
CID 79534182
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
N-(cyclohexylmethyl)bicyclo[3.1.0]hexan-6-amine
CID 131176637

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)cycloheptanamine?
The IUPAC name of N-(cyclobutylmethyl)cycloheptanamine (CID 43298514) is N-(cyclobutylmethyl)cycloheptanamine.
What is the SMILES notation for N-(cyclobutylmethyl)cycloheptanamine?
The canonical SMILES for N-(cyclobutylmethyl)cycloheptanamine is C1CCCC(NCC2CCC2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)cycloheptanamine?
The InChIKey is NSCURGUAYVDYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-4-9-12(8-3-1)13-10-11-6-5-7-11/h11-13H,1-10H2.
What are the key properties of N-(cyclobutylmethyl)cycloheptanamine?
N-(cyclobutylmethyl)cycloheptanamine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)cycloheptanamine is sourced from PubChem (CID 43298514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).