2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine

C15H34N2 — CID 66453834

IUPAC2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(CCC)C(C)C
InChIInChI=1S/C15H34N2/c1-8-10-16-14(5)15(6,7)12-17(11-9-2)13(3)4/h13-14,16H,8-12H2,1-7H3
InChIKeyFTELASMGOGZLES-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds9

About 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine

2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine (PubChem CID 66453834) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine
PubChem CID66453834
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(CCC)C(C)C
InChIInChI=1S/C15H34N2/c1-8-10-16-14(5)15(6,7)12-17(11-9-2)13(3)4/h13-14,16H,8-12H2,1-7H3
InChIKeyFTELASMGOGZLES-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine (CID 66453834) is 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(CCC)C(C)C.
What is the InChIKey of 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine?
The InChIKey is FTELASMGOGZLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-10-16-14(5)15(6,7)12-17(11-9-2)13(3)4/h13-14,16H,8-12H2,1-7H3.
What are the key properties of 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine?
2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N-propan-2-yl-1-N,3-N-dipropylbutane-1,3-diamine is sourced from PubChem (CID 66453834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).