3-(3-methylindol-1-yl)pentan-1-amine

C14H20N2 — CID 43428962

IUPAC3-(3-methylindol-1-yl)pentan-1-amine
SMILESCCC(CCN)n1cc(C)c2ccccc21
InChIInChI=1S/C14H20N2/c1-3-12(8-9-15)16-10-11(2)13-6-4-5-7-14(13)16/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyZZAOZFQRUOZXBZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.25
Rot. Bonds4

About 3-(3-methylindol-1-yl)pentan-1-amine

3-(3-methylindol-1-yl)pentan-1-amine (PubChem CID 43428962) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(3-methylindol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(3-methylindol-1-yl)pentan-1-amine
PubChem CID43428962
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(3-methylindol-1-yl)pentan-1-amine
SMILESCCC(CCN)n1cc(C)c2ccccc21
InChIInChI=1S/C14H20N2/c1-3-12(8-9-15)16-10-11(2)13-6-4-5-7-14(13)16/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyZZAOZFQRUOZXBZ-UHFFFAOYSA-N
XLogP3.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate
CID 138978169
3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine
CID 141126928
1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
CID 90033289
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
N-ethyl-3-methylindol-1-amine
CID 119091648
(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine
CID 59622325
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
(3-methylindol-1-yl)methanol
CID 54090827
2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine
CID 65481750
(2S)-2-(1,3-dihydroisoindol-2-yl)-2-(3-methylindol-1-yl)acetic acid
CID 101116769
(3-methylindol-1-yl)methanesulfinate
CID 174435650
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylindol-1-yl)pentan-1-amine?
The IUPAC name of 3-(3-methylindol-1-yl)pentan-1-amine (CID 43428962) is 3-(3-methylindol-1-yl)pentan-1-amine.
What is the SMILES notation for 3-(3-methylindol-1-yl)pentan-1-amine?
The canonical SMILES for 3-(3-methylindol-1-yl)pentan-1-amine is CCC(CCN)n1cc(C)c2ccccc21.
What is the InChIKey of 3-(3-methylindol-1-yl)pentan-1-amine?
The InChIKey is ZZAOZFQRUOZXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-12(8-9-15)16-10-11(2)13-6-4-5-7-14(13)16/h4-7,10,12H,3,8-9,15H2,1-2H3.
What are the key properties of 3-(3-methylindol-1-yl)pentan-1-amine?
3-(3-methylindol-1-yl)pentan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylindol-1-yl)pentan-1-amine is sourced from PubChem (CID 43428962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).