2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine

C14H31N — CID 83159399

IUPAC2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
SMILESCCCNCC(C)(CCC(C)C)C(C)C
InChIInChI=1S/C14H31N/c1-7-10-15-11-14(6,13(4)5)9-8-12(2)3/h12-13,15H,7-11H2,1-6H3
InChIKeyOMQPNBNETDXQQP-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds8

About 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine

2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine (PubChem CID 83159399) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
PubChem CID83159399
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
SMILESCCCNCC(C)(CCC(C)C)C(C)C
InChIInChI=1S/C14H31N/c1-7-10-15-11-14(6,13(4)5)9-8-12(2)3/h12-13,15H,7-11H2,1-6H3
InChIKeyOMQPNBNETDXQQP-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine?
The IUPAC name of 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine (CID 83159399) is 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine?
The canonical SMILES for 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine is CCCNCC(C)(CCC(C)C)C(C)C.
What is the InChIKey of 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine?
The InChIKey is OMQPNBNETDXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-10-15-11-14(6,13(4)5)9-8-12(2)3/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine?
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine is sourced from PubChem (CID 83159399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).