N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine

C16H29N3 — CID 81246240

IUPACN-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)C(C)CC(C)C
InChIInChI=1S/C16H29N3/c1-6-8-17-11-15-12-18-9-7-16(15)19(5)14(4)10-13(2)3/h7,9,12-14,17H,6,8,10-11H2,1-5H3
InChIKeyVWCOGNGNCYJNLE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.45
Rot. Bonds8

About N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine

N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine (PubChem CID 81246240) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
PubChem CID81246240
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)C(C)CC(C)C
InChIInChI=1S/C16H29N3/c1-6-8-17-11-15-12-18-9-7-16(15)19(5)14(4)10-13(2)3/h7,9,12-14,17H,6,8,10-11H2,1-5H3
InChIKeyVWCOGNGNCYJNLE-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 81246169
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
N-cycloheptyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247077
N-cyclohexyl-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249376
N,N-dibutyl-3-(propylaminomethyl)pyridin-4-amine
CID 81249392
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine (CID 81246240) is N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnccc1N(C)C(C)CC(C)C.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine?
The InChIKey is VWCOGNGNCYJNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-8-17-11-15-12-18-9-7-16(15)19(5)14(4)10-13(2)3/h7,9,12-14,17H,6,8,10-11H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine?
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81246240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).