N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine

C16H19N3 — CID 66162070

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1cc2c(cc1NCc1cncn1C1CC1)CCC2
InChIInChI=1S/C16H19N3/c1-2-12-4-5-14(8-13(12)3-1)18-10-16-9-17-11-19(16)15-6-7-15/h4-5,8-9,11,15,18H,1-3,6-7,10H2
InChIKeyMAJORODMWVPQGW-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 66162070) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID66162070
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1cc2c(cc1NCc1cncn1C1CC1)CCC2
InChIInChI=1S/C16H19N3/c1-2-12-4-5-14(8-13(12)3-1)18-10-16-9-17-11-19(16)15-6-7-15/h4-5,8-9,11,15,18H,1-3,6-7,10H2
InChIKeyMAJORODMWVPQGW-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66162069
4-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-3-fluoroaniline
CID 66162716
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333
2-chloro-4-[(3-cyclopropylimidazol-4-yl)methylamino]benzonitrile
CID 66164671
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 66163753
N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
CID 66163750
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(difluoromethoxy)aniline
CID 66163708
4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
CID 66164704
4-bromo-2-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 66164277
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-4-fluoroaniline
CID 66161889
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 66162070) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine is c1cc2c(cc1NCc1cncn1C1CC1)CCC2.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is MAJORODMWVPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-12-4-5-14(8-13(12)3-1)18-10-16-9-17-11-19(16)15-6-7-15/h4-5,8-9,11,15,18H,1-3,6-7,10H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 253.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 66162070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).