N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine

C17H26N2 — CID 90909657

IUPACN,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine
SMILESCC1=NCCC2=CC=CCCC(N(C)CC(C)C)=C21
InChIInChI=1S/C17H26N2/c1-13(2)12-19(4)16-9-7-5-6-8-15-10-11-18-14(3)17(15)16/h5-6,8,13H,7,9-12H2,1-4H3
InChIKeyYHSXYYMKAKGPGQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.97
Rot. Bonds3

About N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine

N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine (PubChem CID 90909657) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine
PubChem CID90909657
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine
SMILESCC1=NCCC2=CC=CCCC(N(C)CC(C)C)=C21
InChIInChI=1S/C17H26N2/c1-13(2)12-19(4)16-9-7-5-6-8-15-10-11-18-14(3)17(15)16/h5-6,8,13H,7,9-12H2,1-4H3
InChIKeyYHSXYYMKAKGPGQ-UHFFFAOYSA-N
XLogP3.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-[[(6Z)-6-[(E)-but-2-enylidene]-4-methylcyclohexa-2,4-dien-1-ylidene]amino]ethyl]-N-ethyl-4-methylpent-4-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine?
The IUPAC name of N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine (CID 90909657) is N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine.
What is the SMILES notation for N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine?
The canonical SMILES for N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine is CC1=NCCC2=CC=CCCC(N(C)CC(C)C)=C21.
What is the InChIKey of N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine?
The InChIKey is YHSXYYMKAKGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)12-19(4)16-9-7-5-6-8-15-10-11-18-14(3)17(15)16/h5-6,8,13H,7,9-12H2,1-4H3.
What are the key properties of N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine?
N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine has a molecular weight of 258.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-methylpropyl)-3,4,8,9-tetrahydrocycloocta[c]pyridin-10-amine is sourced from PubChem (CID 90909657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).