4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine

C16H24N2 — CID 60850529

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C16H24N2/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h1-4,13,16H,5-12,17H2
InChIKeyUHAXKKXVDXHAFI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.56
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 60850529) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
PubChem CID60850529
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C16H24N2/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h1-4,13,16H,5-12,17H2
InChIKeyUHAXKKXVDXHAFI-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-amine
CID 54928022
6-bromo-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline
CID 84738511
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
bis((E)-but-2-enedioic acid);2-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 14405660
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106740844
[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
CID 99109813
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
CID 62608826
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
CID 62423352
2-[[(2S)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline;sulfane
CID 161167109
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853349
1-[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2,4-triazole-3,5-diamine
CID 66694890

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine (CID 60850529) is 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine is NC1CCC(CN2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is UHAXKKXVDXHAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h1-4,13,16H,5-12,17H2.
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 60850529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).