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

C15H34N2 — CID 65267034

IUPAC2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCCCCCN(CC(C)(C)C(C)(C)N)C(C)C
InChIInChI=1S/C15H34N2/c1-8-9-10-11-17(13(2)3)12-14(4,5)15(6,7)16/h13H,8-12,16H2,1-7H3
InChIKeyGIAMXIXCPYZJSZ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.65
Rot. Bonds8

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

2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 65267034) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID65267034
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCCCCCN(CC(C)(C)C(C)(C)N)C(C)C
InChIInChI=1S/C15H34N2/c1-8-9-10-11-17(13(2)3)12-14(4,5)15(6,7)16/h13H,8-12,16H2,1-7H3
InChIKeyGIAMXIXCPYZJSZ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.65
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 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine (CID 65267034) is 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine is CCCCCN(CC(C)(C)C(C)(C)N)C(C)C.
What is the InChIKey of 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is GIAMXIXCPYZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-9-10-11-17(13(2)3)12-14(4,5)15(6,7)16/h13H,8-12,16H2,1-7H3.
What are the key properties of 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine?
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 65267034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).