4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine

C15H23N3 — CID 80648894

IUPAC4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H23N3/c16-13-4-6-14(7-5-13)18-10-12-3-1-2-11-8-9-17-15(11)12/h1-3,13-14,17-18H,4-10,16H2
InChIKeyWXTOBXACOFHERH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.01
Rot. Bonds3

About 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine

4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 80648894) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine
PubChem CID80648894
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H23N3/c16-13-4-6-14(7-5-13)18-10-12-3-1-2-11-8-9-17-15(11)12/h1-3,13-14,17-18H,4-10,16H2
InChIKeyWXTOBXACOFHERH-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4,4-dimethylcyclohexan-1-amine
CID 80649220
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414
3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
CID 80648400
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
CID 80649920
4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
CID 114155169
tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate
CID 107239400
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 80650398
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-3-amine
CID 80650139

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine (CID 80648894) is 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine is NC1CCC(NCc2cccc3c2NCC3)CC1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is WXTOBXACOFHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-13-4-6-14(7-5-13)18-10-12-3-1-2-11-8-9-17-15(11)12/h1-3,13-14,17-18H,4-10,16H2.
What are the key properties of 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine?
4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 80648894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).