N-(2-methylidenebutyl)cycloheptanamine

C12H23N — CID 66045688

IUPACN-(2-methylidenebutyl)cycloheptanamine
SMILESC=C(CC)CNC1CCCCCC1
InChIInChI=1S/C12H23N/c1-3-11(2)10-13-12-8-6-4-5-7-9-12/h12-13H,2-10H2,1H3
InChIKeyVMUSFINYWNXEKZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds4

About N-(2-methylidenebutyl)cycloheptanamine

N-(2-methylidenebutyl)cycloheptanamine (PubChem CID 66045688) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(2-methylidenebutyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-methylidenebutyl)cycloheptanamine
PubChem CID66045688
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(2-methylidenebutyl)cycloheptanamine
SMILESC=C(CC)CNC1CCCCCC1
InChIInChI=1S/C12H23N/c1-3-11(2)10-13-12-8-6-4-5-7-9-12/h12-13H,2-10H2,1H3
InChIKeyVMUSFINYWNXEKZ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
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

4,4-dimethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66047133
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine
CID 134926768
N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
CID 24974469
2-methyl-N-(2-methylidenebutyl)cyclopentan-1-amine
CID 66044515
3,3,5,5-tetramethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 103966203
N-cyclopentyl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069362
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)cycloheptanamine?
The IUPAC name of N-(2-methylidenebutyl)cycloheptanamine (CID 66045688) is N-(2-methylidenebutyl)cycloheptanamine.
What is the SMILES notation for N-(2-methylidenebutyl)cycloheptanamine?
The canonical SMILES for N-(2-methylidenebutyl)cycloheptanamine is C=C(CC)CNC1CCCCCC1.
What is the InChIKey of N-(2-methylidenebutyl)cycloheptanamine?
The InChIKey is VMUSFINYWNXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-11(2)10-13-12-8-6-4-5-7-9-12/h12-13H,2-10H2,1H3.
What are the key properties of N-(2-methylidenebutyl)cycloheptanamine?
N-(2-methylidenebutyl)cycloheptanamine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)cycloheptanamine is sourced from PubChem (CID 66045688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).