N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine

C25H42N2 — CID 22480097

IUPACN,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
SMILESCC1CCC(C(C)C)C(N(c2ccncc2)C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C25H42N2/c1-17(2)22-9-7-19(5)15-24(22)27(21-11-13-26-14-12-21)25-16-20(6)8-10-23(25)18(3)4/h11-14,17-20,22-25H,7-10,15-16H2,1-6H3
InChIKeyKJVJOSCMUTVLEG-UHFFFAOYSA-N
MW370.63 g/mol
LogP6.81
Rot. Bonds5

About N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine

N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine (PubChem CID 22480097) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
PubChem CID22480097
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC NameN,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
SMILESCC1CCC(C(C)C)C(N(c2ccncc2)C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C25H42N2/c1-17(2)22-9-7-19(5)15-24(22)27(21-11-13-26-14-12-21)25-16-20(6)8-10-23(25)18(3)4/h11-14,17-20,22-25H,7-10,15-16H2,1-6H3
InChIKeyKJVJOSCMUTVLEG-UHFFFAOYSA-N
XLogP6.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid
CID 54177043
1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
CID 22413256
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 168868561
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline
CID 21407160
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
N-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)azetidin-3-amine
CID 66187048
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936

Frequently Asked Questions

What is the IUPAC name of N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine?
The IUPAC name of N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine (CID 22480097) is N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine?
The canonical SMILES for N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine is CC1CCC(C(C)C)C(N(c2ccncc2)C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine?
The InChIKey is KJVJOSCMUTVLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-17(2)22-9-7-19(5)15-24(22)27(21-11-13-26-14-12-21)25-16-20(6)8-10-23(25)18(3)4/h11-14,17-20,22-25H,7-10,15-16H2,1-6H3.
What are the key properties of N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine?
N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine has a molecular weight of 370.63 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 22480097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).