N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine

C17H32N4 — CID 62292737

IUPACN,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H32N4/c1-6-9-21(11-10-20(4)5)17-8-7-16(14-19-17)13-18-12-15(2)3/h7-8,14-15,18H,6,9-13H2,1-5H3
InChIKeyLWLXTOYGVXNJAC-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.61
Rot. Bonds10

About N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine

N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine (PubChem CID 62292737) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
PubChem CID62292737
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H32N4/c1-6-9-21(11-10-20(4)5)17-8-7-16(14-19-17)13-18-12-15(2)3/h7-8,14-15,18H,6,9-13H2,1-5H3
InChIKeyLWLXTOYGVXNJAC-UHFFFAOYSA-N
XLogP2.61
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066
[6-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-pyridinyl]methanol
CID 55008988
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107870528
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N,N-dimethyl-2-[propyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632298
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine (CID 62292737) is N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ccc(CNCC(C)C)cn1.
What is the InChIKey of N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine?
The InChIKey is LWLXTOYGVXNJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-9-21(11-10-20(4)5)17-8-7-16(14-19-17)13-18-12-15(2)3/h7-8,14-15,18H,6,9-13H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine?
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62292737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).