8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide

C20H27N3O — CID 14950451

IUPAC8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide
SMILESCCCN(CC1CC1)C1CCc2ccc3[nH]c(C(N)=O)cc3c2C1
InChIInChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)
InChIKeyYQWYZWBIKZPITE-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.25
Rot. Bonds6

About 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide

8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide (PubChem CID 14950451) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide.

Molecular Properties

Compound Name8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide
PubChem CID14950451
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide
SMILESCCCN(CC1CC1)C1CCc2ccc3[nH]c(C(N)=O)cc3c2C1
InChIInChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)
InChIKeyYQWYZWBIKZPITE-UHFFFAOYSA-N
XLogP3.25
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[cyclopropylmethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 54208164
N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 19041512
8-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl-propylamino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile
CID 14950457
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
CID 10378357
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 13342884
4-[[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]methyl]piperidine-1-carboxylic acid
CID 22560685

Frequently Asked Questions

What is the IUPAC name of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide?
The IUPAC name of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide (CID 14950451) is 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide.
What is the SMILES notation for 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide?
The canonical SMILES for 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide is CCCN(CC1CC1)C1CCc2ccc3[nH]c(C(N)=O)cc3c2C1.
What is the InChIKey of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide?
The InChIKey is YQWYZWBIKZPITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24).
What are the key properties of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide?
8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide is sourced from PubChem (CID 14950451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).