1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide

C15H19N3O — CID 119778812

IUPAC1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H19N3O/c16-15(7-8-15)14(19)17-9-3-4-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,18H,3-4,7-9,16H2,(H,17,19)
InChIKeyOYFOSJWKZAQQHZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.71
Rot. Bonds5

About 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide

1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 119778812) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
PubChem CID119778812
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H19N3O/c16-15(7-8-15)14(19)17-9-3-4-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,18H,3-4,7-9,16H2,(H,17,19)
InChIKeyOYFOSJWKZAQQHZ-UHFFFAOYSA-N
XLogP1.71
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
1-[(3-hydroxythiolan-3-yl)methyl]-3-[3-(1H-indol-3-yl)propyl]urea
CID 111618840
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
(2S)-2-[(1-aminocyclopropanecarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 65465990
N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167845719
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide (CID 119778812) is 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is OYFOSJWKZAQQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-15(7-8-15)14(19)17-9-3-4-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,18H,3-4,7-9,16H2,(H,17,19).
What are the key properties of 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119778812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).