N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine

C12H29N3 — CID 82017008

IUPACN'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
SMILESCC(CN)CCCN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-12(11-13)7-5-9-15(4)10-6-8-14(2)3/h12H,5-11,13H2,1-4H3
InChIKeyYGDDJULUNKKVQP-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.24
Rot. Bonds9

About N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine

N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine (PubChem CID 82017008) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
PubChem CID82017008
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
SMILESCC(CN)CCCN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-12(11-13)7-5-9-15(4)10-6-8-14(2)3/h12H,5-11,13H2,1-4H3
InChIKeyYGDDJULUNKKVQP-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992814
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
N'-[(4-bromophenyl)methyl]-N',2-dimethylpentane-1,5-diamine
CID 82017241
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine (CID 82017008) is N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine is CC(CN)CCCN(C)CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine?
The InChIKey is YGDDJULUNKKVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-12(11-13)7-5-9-15(4)10-6-8-14(2)3/h12H,5-11,13H2,1-4H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine?
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 82017008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).