2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine

C14H32N2 — CID 83053921

IUPAC2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-9-13(11-15-10-8-2)16(6)12-14(3,4)5/h13,15H,7-12H2,1-6H3
InChIKeySIKSIKUIVVNOSA-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds8

About 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine

2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine (PubChem CID 83053921) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
PubChem CID83053921
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(C)CC(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-9-13(11-15-10-8-2)16(6)12-14(3,4)5/h13,15H,7-12H2,1-6H3
InChIKeySIKSIKUIVVNOSA-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine (CID 83053921) is 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine is CCCNCC(CCC)N(C)CC(C)(C)C.
What is the InChIKey of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
The InChIKey is SIKSIKUIVVNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-13(11-15-10-8-2)16(6)12-14(3,4)5/h13,15H,7-12H2,1-6H3.
What are the key properties of 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine?
2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylpropyl)-2-N-methyl-1-N-propylpentane-1,2-diamine is sourced from PubChem (CID 83053921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).