N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C18H31N3 — CID 62287115

IUPACN-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cccnc1N(C)CC1CCCCC1
InChIInChI=1S/C18H31N3/c1-15(2)12-19-13-17-10-7-11-20-18(17)21(3)14-16-8-5-4-6-9-16/h7,10-11,15-16,19H,4-6,8-9,12-14H2,1-3H3
InChIKeyFBMSRXFZVCNBQE-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.84
Rot. Bonds7

About N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62287115) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62287115
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1cccnc1N(C)CC1CCCCC1
InChIInChI=1S/C18H31N3/c1-15(2)12-19-13-17-10-7-11-20-18(17)21(3)14-16-8-5-4-6-9-16/h7,10-11,15-16,19H,4-6,8-9,12-14H2,1-3H3
InChIKeyFBMSRXFZVCNBQE-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62287115) is N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1cccnc1N(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is FBMSRXFZVCNBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)12-19-13-17-10-7-11-20-18(17)21(3)14-16-8-5-4-6-9-16/h7,10-11,15-16,19H,4-6,8-9,12-14H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62287115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).