N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C12H18N2 — CID 66408115

IUPACN-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1cc(CNC2CC3CCC2C3)c[nH]1
InChIInChI=1S/C12H18N2/c1-2-11-5-9(1)6-12(11)14-8-10-3-4-13-7-10/h3-4,7,9,11-14H,1-2,5-6,8H2
InChIKeyFDFGKYFRSCNXFS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.29
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 66408115) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID66408115
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESc1cc(CNC2CC3CCC2C3)c[nH]1
InChIInChI=1S/C12H18N2/c1-2-11-5-9(1)6-12(11)14-8-10-3-4-13-7-10/h3-4,7,9,11-14H,1-2,5-6,8H2
InChIKeyFDFGKYFRSCNXFS-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

1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
CID 115117395
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
CID 66408120
N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
1,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-amine
CID 130692968
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309951
N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
CID 131043183
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 130636961

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 66408115) is N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is c1cc(CNC2CC3CCC2C3)c[nH]1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is FDFGKYFRSCNXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-11-5-9(1)6-12(11)14-8-10-3-4-13-7-10/h3-4,7,9,11-14H,1-2,5-6,8H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-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[2.2.1]heptan-2-amine is sourced from PubChem (CID 66408115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).