N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine

C15H18N2 — CID 102911276

IUPACN-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
SMILESC1=CCC(NCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H18N2/c1-2-4-14(5-3-1)17-11-12-6-7-15-13(10-12)8-9-16-15/h1-2,6-10,14,16-17H,3-5,11H2
InChIKeyHTUNMVJRWDSGIW-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.37
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine

N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine (PubChem CID 102911276) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
PubChem CID102911276
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
SMILESC1=CCC(NCc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H18N2/c1-2-4-14(5-3-1)17-11-12-6-7-15-13(10-12)8-9-16-15/h1-2,6-10,14,16-17H,3-5,11H2
InChIKeyHTUNMVJRWDSGIW-UHFFFAOYSA-N
XLogP3.37
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
CID 102910834
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435
2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935752
N-(1,2,3-benzothiadiazol-5-ylmethyl)cyclohex-3-en-1-amine
CID 142665391
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine (CID 102911276) is N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine is C1=CCC(NCc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine?
The InChIKey is HTUNMVJRWDSGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-4-14(5-3-1)17-11-12-6-7-15-13(10-12)8-9-16-15/h1-2,6-10,14,16-17H,3-5,11H2.
What are the key properties of N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine?
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 102911276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).