N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine

C17H31N3 — CID 62283165

IUPACN,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(CC(C)C)CC(C)C
InChIInChI=1S/C17H31N3/c1-6-9-18-11-16-8-7-10-19-17(16)20(12-14(2)3)13-15(4)5/h7-8,10,14-15,18H,6,9,11-13H2,1-5H3
InChIKeyGALCWKWFPONRSW-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.70
Rot. Bonds9

About N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine

N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62283165) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62283165
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(CC(C)C)CC(C)C
InChIInChI=1S/C17H31N3/c1-6-9-18-11-16-8-7-10-19-17(16)20(12-14(2)3)13-15(4)5/h7-8,10,14-15,18H,6,9,11-13H2,1-5H3
InChIKeyGALCWKWFPONRSW-UHFFFAOYSA-N
XLogP3.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.70
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

N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine (CID 62283165) is N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccnc1N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is GALCWKWFPONRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-9-18-11-16-8-7-10-19-17(16)20(12-14(2)3)13-15(4)5/h7-8,10,14-15,18H,6,9,11-13H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine?
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62283165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).