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

C12H29N3 — CID 63693434

IUPAC2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-6-11(2)12(10-13)15(5)9-7-8-14(3)4/h11-12H,6-10,13H2,1-5H3
InChIKeyUNNXHKDLZHZWEE-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.24
Rot. Bonds8

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

2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine (PubChem CID 63693434) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
PubChem CID63693434
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-6-11(2)12(10-13)15(5)9-7-8-14(3)4/h11-12H,6-10,13H2,1-5H3
InChIKeyUNNXHKDLZHZWEE-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
2-N-[3-(dimethylamino)propyl]-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268623
3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
CID 61425759
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-phenylbutane-1,2-diamine
CID 63695372
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63725992
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine
CID 88670688
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63698900

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine (CID 63693434) is 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine is CCC(C)C(CN)N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine?
The InChIKey is UNNXHKDLZHZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-11(2)12(10-13)15(5)9-7-8-14(3)4/h11-12H,6-10,13H2,1-5H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine is sourced from PubChem (CID 63693434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).