N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine

C14H18N2 — CID 61221927

IUPACN-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2/c1-14(2)7-13(14)16-9-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15-16H,7,9H2,1-2H3
InChIKeyWEHHOYGJMJIQKG-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.06
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine

N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 61221927) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID61221927
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NCc1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2/c1-14(2)7-13(14)16-9-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15-16H,7,9H2,1-2H3
InChIKeyWEHHOYGJMJIQKG-UHFFFAOYSA-N
XLogP3.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965535
2,2-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 66415076
N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
CID 115145493
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
CID 138608964
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine (CID 61221927) is N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is WEHHOYGJMJIQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2)7-13(14)16-9-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15-16H,7,9H2,1-2H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine?
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61221927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).