N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine

C20H28N2 — CID 19041512

IUPACN-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
SMILESCCCN(CC1CCC1)C1CCc2c(ccc3[nH]ccc23)C1
InChIInChI=1S/C20H28N2/c1-2-12-22(14-15-4-3-5-15)17-7-8-18-16(13-17)6-9-20-19(18)10-11-21-20/h6,9-11,15,17,21H,2-5,7-8,12-14H2,1H3
InChIKeyDHKKGHHXZIEYKY-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.54
Rot. Bonds5

About N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine

N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine (PubChem CID 19041512) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
PubChem CID19041512
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
SMILESCCCN(CC1CCC1)C1CCc2c(ccc3[nH]ccc23)C1
InChIInChI=1S/C20H28N2/c1-2-12-22(14-15-4-3-5-15)17-7-8-18-16(13-17)6-9-20-19(18)10-11-21-20/h6,9-11,15,17,21H,2-5,7-8,12-14H2,1H3
InChIKeyDHKKGHHXZIEYKY-UHFFFAOYSA-N
XLogP4.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 13342884
N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
CID 10378357
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione
CID 10342261
7-(dipropylamino)-6,7,8,9-tetrahydro-1H-benzo[g]indole-3-carbaldehyde
CID 19041549
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide
CID 14950451
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
CID 19041535
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158457147

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine (CID 19041512) is N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine is CCCN(CC1CCC1)C1CCc2c(ccc3[nH]ccc23)C1.
What is the InChIKey of N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
The InChIKey is DHKKGHHXZIEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-2-12-22(14-15-4-3-5-15)17-7-8-18-16(13-17)6-9-20-19(18)10-11-21-20/h6,9-11,15,17,21H,2-5,7-8,12-14H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine?
N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine has a molecular weight of 296.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine is sourced from PubChem (CID 19041512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).