N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine

C15H33N3O — CID 174963447

IUPACN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)C1CCCCO1
InChIInChI=1S/C15H33N3O/c1-16(2)10-7-12-18(13-8-11-17(3)4)15-9-5-6-14-19-15/h15H,5-14H2,1-4H3
InChIKeyRZEABAKMNNRFOP-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.72
Rot. Bonds9

About N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine (PubChem CID 174963447) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine
PubChem CID174963447
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)C1CCCCO1
InChIInChI=1S/C15H33N3O/c1-16(2)10-7-12-18(13-8-11-17(3)4)15-9-5-6-14-19-15/h15H,5-14H2,1-4H3
InChIKeyRZEABAKMNNRFOP-UHFFFAOYSA-N
XLogP1.72
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-propyloxan-2-amine
CID 91513495
N-ethyl-N-propyloxan-2-amine
CID 90739816
N-methyl-N-propyloxan-2-amine
CID 91002672
(2R)-N,N-dimethyloxan-2-amine
CID 92983084
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N'-cyclopropyl-N'-[3-(dimethylamino)propyl]propane-1,3-diamine
CID 114524959
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
N',N'-bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride
CID 54609597
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine (CID 174963447) is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine is CN(C)CCCN(CCCN(C)C)C1CCCCO1.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine?
The InChIKey is RZEABAKMNNRFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-16(2)10-7-12-18(13-8-11-17(3)4)15-9-5-6-14-19-15/h15H,5-14H2,1-4H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 174963447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).