N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine

C17H24N2 — CID 107384139

IUPACN-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
SMILESCCNC1CCCCc2[nH]c3c(C)ccc(C)c3c21
InChIInChI=1S/C17H24N2/c1-4-18-13-7-5-6-8-14-16(13)15-11(2)9-10-12(3)17(15)19-14/h9-10,13,18-19H,4-8H2,1-3H3
InChIKeyBOYKCXMZMAMNNB-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.16
Rot. Bonds2

About N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine

N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine (PubChem CID 107384139) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine.

Molecular Properties

Compound NameN-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
PubChem CID107384139
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
SMILESCCNC1CCCCc2[nH]c3c(C)ccc(C)c3c21
InChIInChI=1S/C17H24N2/c1-4-18-13-7-5-6-8-14-16(13)15-11(2)9-10-12(3)17(15)19-14/h9-10,13,18-19H,4-8H2,1-3H3
InChIKeyBOYKCXMZMAMNNB-UHFFFAOYSA-N
XLogP4.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
CID 107384140
2,2,5,8-tetramethyl-N-propyl-1,3,4,9-tetrahydrocarbazol-4-amine
CID 65332594
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
6,8-dichloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333191
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
1,3-difluoro-4-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79732480
2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335539
1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630576
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
8-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445416
N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333102
N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
The IUPAC name of N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine (CID 107384139) is N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine.
What is the SMILES notation for N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
The canonical SMILES for N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine is CCNC1CCCCc2[nH]c3c(C)ccc(C)c3c21.
What is the InChIKey of N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
The InChIKey is BOYKCXMZMAMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-18-13-7-5-6-8-14-16(13)15-11(2)9-10-12(3)17(15)19-14/h9-10,13,18-19H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine?
N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine has a molecular weight of 256.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4-dimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine is sourced from PubChem (CID 107384139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).