N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine

C12H18N2 — CID 130658457

IUPACN-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
SMILESc1cc(CNC2C3CCCCC32)c[nH]1
InChIInChI=1S/C12H18N2/c1-2-4-11-10(3-1)12(11)14-8-9-5-6-13-7-9/h5-7,10-14H,1-4,8H2
InChIKeyRIEJXYGMBAUYDW-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.29
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine

N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine (PubChem CID 130658457) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
PubChem CID130658457
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
SMILESc1cc(CNC2C3CCCCC32)c[nH]1
InChIInChI=1S/C12H18N2/c1-2-4-11-10(3-1)12(11)14-8-9-5-6-13-7-9/h5-7,10-14H,1-4,8H2
InChIKeyRIEJXYGMBAUYDW-UHFFFAOYSA-N
XLogP2.29
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66409637
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CID 66408120
1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
CID 115117395
N-(1H-pyrrol-3-ylmethyl)cyclopent-3-en-1-amine
CID 115696355
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
CID 131043183
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504
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CID 66409208

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine (CID 130658457) is N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine is c1cc(CNC2C3CCCCC32)c[nH]1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine?
The InChIKey is RIEJXYGMBAUYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-4-11-10(3-1)12(11)14-8-9-5-6-13-7-9/h5-7,10-14H,1-4,8H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine?
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine has a molecular weight of 190.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine is sourced from PubChem (CID 130658457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).