2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine

C12H28N2 — CID 82682516

IUPAC2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
SMILESCCCN(CCCC(C)CN)C(C)C
InChIInChI=1S/C12H28N2/c1-5-8-14(11(2)3)9-6-7-12(4)10-13/h11-12H,5-10,13H2,1-4H3
InChIKeyAKHUMTLDQCWYIT-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds8

About 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine

2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine (PubChem CID 82682516) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
PubChem CID82682516
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
SMILESCCCN(CCCC(C)CN)C(C)C
InChIInChI=1S/C12H28N2/c1-5-8-14(11(2)3)9-6-7-12(4)10-13/h11-12H,5-10,13H2,1-4H3
InChIKeyAKHUMTLDQCWYIT-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine (CID 82682516) is 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine is CCCN(CCCC(C)CN)C(C)C.
What is the InChIKey of 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine?
The InChIKey is AKHUMTLDQCWYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-8-14(11(2)3)9-6-7-12(4)10-13/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine?
2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine is sourced from PubChem (CID 82682516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).