N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C17H24N2 — CID 102911394

IUPACN-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(CNCc2ccc3[nH]ccc3c2)C1(C)C
InChIInChI=1S/C17H24N2/c1-16(2)15(17(16,3)4)11-18-10-12-5-6-14-13(9-12)7-8-19-14/h5-9,15,18-19H,10-11H2,1-4H3
InChIKeyJXHFRUHTLIGVFK-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.94
Rot. Bonds4

About N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 102911394) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID102911394
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(CNCc2ccc3[nH]ccc3c2)C1(C)C
InChIInChI=1S/C17H24N2/c1-16(2)15(17(16,3)4)11-18-10-12-5-6-14-13(9-12)7-8-19-14/h5-9,15,18-19H,10-11H2,1-4H3
InChIKeyJXHFRUHTLIGVFK-UHFFFAOYSA-N
XLogP3.94
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
N-(naphthalen-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351410
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine
CID 102912029
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 102910344
N-(1H-indol-5-ylmethyl)-2-methylsulfanylpropan-1-amine
CID 102911932
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106144224
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 102911394) is N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC1(C)C(CNCc2ccc3[nH]ccc3c2)C1(C)C.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is JXHFRUHTLIGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-16(2)15(17(16,3)4)11-18-10-12-5-6-14-13(9-12)7-8-19-14/h5-9,15,18-19H,10-11H2,1-4H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 256.39 g/mol, XLogP of 3.94, 4 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)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 102911394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).