N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine

C17H24N2 — CID 91562929

IUPACN-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine
SMILESCC1=NCCC2=CC=CCC(N(C)C(C)C3CC3)=C21
InChIInChI=1S/C17H24N2/c1-12-17-15(10-11-18-12)6-4-5-7-16(17)19(3)13(2)14-8-9-14/h4-6,13-14H,7-11H2,1-3H3
InChIKeyQKTDFPCZFOPTGT-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.72
Rot. Bonds3

About N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine

N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine (PubChem CID 91562929) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine
PubChem CID91562929
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine
SMILESCC1=NCCC2=CC=CCC(N(C)C(C)C3CC3)=C21
InChIInChI=1S/C17H24N2/c1-12-17-15(10-11-18-12)6-4-5-7-16(17)19(3)13(2)14-8-9-14/h4-6,13-14H,7-11H2,1-3H3
InChIKeyQKTDFPCZFOPTGT-UHFFFAOYSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(7-methyl-7H-indol-3-yl)ethyl]cyclopropanamine
CID 67232442
N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine
CID 90909657
N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine
CID 90937480
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
N-(1-cyclohexa-2,4-dien-1-ylpropyl)-3-methylimino-N-propylpenta-1,4-dien-2-amine
CID 138751194
N-(3-ethenyl-1-methyl-6-prop-1-en-2-yl-2,5-dihydroazepin-4-yl)-3-methylbutan-2-imine
CID 139316458
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z,7E)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylnona-5,7-dien-4-ylidene]-5-N,3-dimethylnona-1,3,6-triene-5,6-diimine;(Z)-3,4-dimethyloct-4-ene
CID 142511132
N,N-diethyl-2-(2-methyl-3aH-indol-3-yl)ethanamine
CID 152743315
(3E,6Z)-8-cyclopropylidene-6-N-[(5Z)-7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylnona-5,7-dien-4-ylidene]-5-N,3-dimethylnona-1,3,6-triene-5,6-diimine
CID 142511133

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine?
The IUPAC name of N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine (CID 91562929) is N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine is CC1=NCCC2=CC=CCC(N(C)C(C)C3CC3)=C21.
What is the InChIKey of N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine?
The InChIKey is QKTDFPCZFOPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12-17-15(10-11-18-12)6-4-5-7-16(17)19(3)13(2)14-8-9-14/h4-6,13-14H,7-11H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine?
N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine has a molecular weight of 256.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N,1-dimethyl-4,8-dihydro-3H-cyclohepta[c]pyridin-9-amine is sourced from PubChem (CID 91562929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).