2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine

C13H30N2 — CID 79409903

IUPAC2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
SMILESCCCCCN(C(C)C)C(C)C(C)CN
InChIInChI=1S/C13H30N2/c1-6-7-8-9-15(11(2)3)13(5)12(4)10-14/h11-13H,6-10,14H2,1-5H3
InChIKeyZLBDCTBTNAFPFV-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds8

About 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine

2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine (PubChem CID 79409903) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
PubChem CID79409903
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
SMILESCCCCCN(C(C)C)C(C)C(C)CN
InChIInChI=1S/C13H30N2/c1-6-7-8-9-15(11(2)3)13(5)12(4)10-14/h11-13H,6-10,14H2,1-5H3
InChIKeyZLBDCTBTNAFPFV-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
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 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine (CID 79409903) is 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine is CCCCCN(C(C)C)C(C)C(C)CN.
What is the InChIKey of 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is ZLBDCTBTNAFPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-7-8-9-15(11(2)3)13(5)12(4)10-14/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine?
2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 79409903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).