4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine

C16H36N2 — CID 55073668

IUPAC4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)CN(CC(C)C)C(C)CCCNC(C)C
InChIInChI=1S/C16H36N2/c1-13(2)11-18(12-14(3)4)16(7)9-8-10-17-15(5)6/h13-17H,8-12H2,1-7H3
InChIKeySWKKBRDOVWRICE-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds10

About 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine

4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 55073668) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID55073668
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)CN(CC(C)C)C(C)CCCNC(C)C
InChIInChI=1S/C16H36N2/c1-13(2)11-18(12-14(3)4)16(7)9-8-10-17-15(5)6/h13-17H,8-12H2,1-7H3
InChIKeySWKKBRDOVWRICE-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine (CID 55073668) is 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine is CC(C)CN(CC(C)C)C(C)CCCNC(C)C.
What is the InChIKey of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is SWKKBRDOVWRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-13(2)11-18(12-14(3)4)16(7)9-8-10-17-15(5)6/h13-17H,8-12H2,1-7H3.
What are the key properties of 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine?
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 55073668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).