2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

C14H33N3 — CID 63725992

IUPAC2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)CCCN(C)C
InChIInChI=1S/C14H33N3/c1-12(2)14(11-15-13(3)4)17(7)10-8-9-16(5)6/h12-15H,8-11H2,1-7H3
InChIKeyNKWHKYKFZHCHJB-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.89
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 63725992) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID63725992
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)CCCN(C)C
InChIInChI=1S/C14H33N3/c1-12(2)14(11-15-13(3)4)17(7)10-8-9-16(5)6/h12-15H,8-11H2,1-7H3
InChIKeyNKWHKYKFZHCHJB-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 63725992) is 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is CC(C)NCC(C(C)C)N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is NKWHKYKFZHCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-12(2)14(11-15-13(3)4)17(7)10-8-9-16(5)6/h12-15H,8-11H2,1-7H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.89, 9 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-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 63725992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).