2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine

C14H32N2 — CID 63983796

IUPAC2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CC)C(C)N(C)C(C)(C)CC
InChIInChI=1S/C14H32N2/c1-8-11-15-13(9-2)12(4)16(7)14(5,6)10-3/h12-13,15H,8-11H2,1-7H3
InChIKeyZZCYMMTYYFALSU-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.27
Rot. Bonds8

About 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine

2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine (PubChem CID 63983796) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
PubChem CID63983796
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
SMILESCCCNC(CC)C(C)N(C)C(C)(C)CC
InChIInChI=1S/C14H32N2/c1-8-11-15-13(9-2)12(4)16(7)14(5,6)10-3/h12-13,15H,8-11H2,1-7H3
InChIKeyZZCYMMTYYFALSU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine (CID 63983796) is 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine is CCCNC(CC)C(C)N(C)C(C)(C)CC.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine?
The InChIKey is ZZCYMMTYYFALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-11-15-13(9-2)12(4)16(7)14(5,6)10-3/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine?
2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine is sourced from PubChem (CID 63983796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).