2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine

C16H29N3 — CID 81249761

IUPAC2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(CCC)C(C)C
InChIInChI=1S/C16H29N3/c1-6-8-17-11-15-12-18-14(5)10-16(15)19(9-7-2)13(3)4/h10,12-13,17H,6-9,11H2,1-5H3
InChIKeyDPNVMLCPKYVIAG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.51
Rot. Bonds8

About 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine

2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine (PubChem CID 81249761) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
PubChem CID81249761
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(CCC)C(C)C
InChIInChI=1S/C16H29N3/c1-6-8-17-11-15-12-18-14(5)10-16(15)19(9-7-2)13(3)4/h10,12-13,17H,6-9,11H2,1-5H3
InChIKeyDPNVMLCPKYVIAG-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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

2-methyl-N-pentyl-N-propan-2-yl-5-(propylaminomethyl)pyridin-4-amine
CID 81249966
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 81249414
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81253096
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842
5-(ethylaminomethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81248626
N-ethyl-5-(ethylaminomethyl)-2-methyl-N-propylpyridin-4-amine
CID 81249866
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
CID 81248139
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
N-ethyl-N-propan-2-yl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114215953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine (CID 81249761) is 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnc(C)cc1N(CCC)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine?
The InChIKey is DPNVMLCPKYVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-8-17-11-15-12-18-14(5)10-16(15)19(9-7-2)13(3)4/h10,12-13,17H,6-9,11H2,1-5H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine?
2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).