2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine

C14H32N2 — CID 80558210

IUPAC2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)C(C)CCC
InChIInChI=1S/C14H32N2/c1-6-8-9-11-14(4,12-15)16(5)13(3)10-7-2/h13H,6-12,15H2,1-5H3
InChIKeyGGMSWORYQLWJMI-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.40
Rot. Bonds9

About 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine

2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine (PubChem CID 80558210) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
PubChem CID80558210
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(C)C(C)CCC
InChIInChI=1S/C14H32N2/c1-6-8-9-11-14(4,12-15)16(5)13(3)10-7-2/h13H,6-12,15H2,1-5H3
InChIKeyGGMSWORYQLWJMI-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.40
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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Related Compounds

2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 66178833
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-ethyl-2-N-methyl-2-N-pentan-2-ylhexane-1,2-diamine
CID 63945751
2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
CID 79475762
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N,2-dimethyl-2-N-pentan-2-yl-3-phenylpropane-1,2-diamine
CID 114992436
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine (CID 80558210) is 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine is CCCCCC(C)(CN)N(C)C(C)CCC.
What is the InChIKey of 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine?
The InChIKey is GGMSWORYQLWJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-8-9-11-14(4,12-15)16(5)13(3)10-7-2/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine?
2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-pentan-2-ylheptane-1,2-diamine is sourced from PubChem (CID 80558210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).