N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

C14H17N3O — CID 171517883

IUPACN-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(N)cc3[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-14(4-5-14)13(18)16-8-11-6-9-2-3-10(15)7-12(9)17-11/h2-3,6-7,17H,4-5,8,15H2,1H3,(H,16,18)
InChIKeyKZLHDVJMFVLEKH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds3

About N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171517883) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171517883
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(N)cc3[nH]2)CC1
InChIInChI=1S/C14H17N3O/c1-14(4-5-14)13(18)16-8-11-6-9-2-3-10(15)7-12(9)17-11/h2-3,6-7,17H,4-5,8,15H2,1H3,(H,16,18)
InChIKeyKZLHDVJMFVLEKH-UHFFFAOYSA-N
XLogP2.17
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519355
N-[[6-[(Z)-4-amino-2-oxobut-3-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519150
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine
CID 171519353
1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519707
1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519749
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[(4-fluoro-6-methyl-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171518744
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 171517883) is N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3ccc(N)cc3[nH]2)CC1.
What is the InChIKey of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is KZLHDVJMFVLEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(4-5-14)13(18)16-8-11-6-9-2-3-10(15)7-12(9)17-11/h2-3,6-7,17H,4-5,8,15H2,1H3,(H,16,18).
What are the key properties of N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171517883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).