N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H32N4 — CID 63700898

IUPACN'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(C)c(CNC(C)C)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C17H32N4/c1-13(2)18-12-16-14(3)11-15(4)19-17(16)21(7)10-8-9-20(5)6/h11,13,18H,8-10,12H2,1-7H3
InChIKeyJXBBQIKZNOQCIV-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.58
Rot. Bonds8

About N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63700898) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63700898
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(C)c(CNC(C)C)c(N(C)CCCN(C)C)n1
InChIInChI=1S/C17H32N4/c1-13(2)18-12-16-14(3)11-15(4)19-17(16)21(7)10-8-9-20(5)6/h11,13,18H,8-10,12H2,1-7H3
InChIKeyJXBBQIKZNOQCIV-UHFFFAOYSA-N
XLogP2.58
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63700898) is N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1cc(C)c(CNC(C)C)c(N(C)CCCN(C)C)n1.
What is the InChIKey of N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is JXBBQIKZNOQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)18-12-16-14(3)11-15(4)19-17(16)21(7)10-8-9-20(5)6/h11,13,18H,8-10,12H2,1-7H3.
What are the key properties of N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-dimethyl-3-[(propan-2-ylamino)methyl]-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63700898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).