2-methyl-2-N-propan-2-yloctane-1,2-diamine

C12H28N2 — CID 62066797

IUPAC2-methyl-2-N-propan-2-yloctane-1,2-diamine
SMILESCCCCCCC(C)(CN)NC(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-8-9-12(4,10-13)14-11(2)3/h11,14H,5-10,13H2,1-4H3
InChIKeyOMYDTPLHSQRCQR-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.67
Rot. Bonds8

About 2-methyl-2-N-propan-2-yloctane-1,2-diamine

2-methyl-2-N-propan-2-yloctane-1,2-diamine (PubChem CID 62066797) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methyl-2-N-propan-2-yloctane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-propan-2-yloctane-1,2-diamine
PubChem CID62066797
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-methyl-2-N-propan-2-yloctane-1,2-diamine
SMILESCCCCCCC(C)(CN)NC(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-8-9-12(4,10-13)14-11(2)3/h11,14H,5-10,13H2,1-4H3
InChIKeyOMYDTPLHSQRCQR-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
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-hex-1-yn-3-yl-2-methylnonane-1,2-diamine
CID 106227984
2-methyl-2-N-propan-2-ylbutane-1,2-diamine
CID 62066789
2-(2,2-dimethylhydrazinyl)-2-methylnonan-1-amine
CID 83011091
N-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
CID 134402382
8-methylpentadecan-8-ylhydrazine
CID 130446175
6-methyltridecan-6-ylhydrazine
CID 139378233
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 62539904
2,2-dimethyloctan-1-amine
CID 62739423
N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
CID 130426441
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
N-ethyl-7-methyltetradecan-7-amine
CID 593697

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-propan-2-yloctane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-propan-2-yloctane-1,2-diamine (CID 62066797) is 2-methyl-2-N-propan-2-yloctane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-propan-2-yloctane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-propan-2-yloctane-1,2-diamine is CCCCCCC(C)(CN)NC(C)C.
What is the InChIKey of 2-methyl-2-N-propan-2-yloctane-1,2-diamine?
The InChIKey is OMYDTPLHSQRCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-6-7-8-9-12(4,10-13)14-11(2)3/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 2-methyl-2-N-propan-2-yloctane-1,2-diamine?
2-methyl-2-N-propan-2-yloctane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-propan-2-yloctane-1,2-diamine is sourced from PubChem (CID 62066797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).