4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine

C13H31N3O — CID 103389561

IUPAC4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H31N3O/c1-11(2)13(9-16(3)4)15-12(10-17-5)7-6-8-14/h11-13,15H,6-10,14H2,1-5H3
InChIKeyYSLRTLRLQGKGNV-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.92
Rot. Bonds10

About 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine

4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine (PubChem CID 103389561) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
PubChem CID103389561
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NC(CN(C)C)C(C)C
InChIInChI=1S/C13H31N3O/c1-11(2)13(9-16(3)4)15-12(10-17-5)7-6-8-14/h11-13,15H,6-10,14H2,1-5H3
InChIKeyYSLRTLRLQGKGNV-UHFFFAOYSA-N
XLogP0.92
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine (CID 103389561) is 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine is COCC(CCCN)NC(CN(C)C)C(C)C.
What is the InChIKey of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine?
The InChIKey is YSLRTLRLQGKGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-11(2)13(9-16(3)4)15-12(10-17-5)7-6-8-14/h11-13,15H,6-10,14H2,1-5H3.
What are the key properties of 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine?
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine has a molecular weight of 245.41 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).