2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine

C16H34N2 — CID 107397828

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(CC)CC1CCC1
InChIInChI=1S/C16H34N2/c1-4-6-7-8-12-16(3,14-17)18(5-2)13-15-10-9-11-15/h15H,4-14,17H2,1-3H3
InChIKeyPVTSNOHHEYIXSB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.80
Rot. Bonds10

About 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine (PubChem CID 107397828) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
PubChem CID107397828
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(CC)CC1CCC1
InChIInChI=1S/C16H34N2/c1-4-6-7-8-12-16(3,14-17)18(5-2)13-15-10-9-11-15/h15H,4-14,17H2,1-3H3
InChIKeyPVTSNOHHEYIXSB-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.80
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-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-N-(cyclobutylmethyl)-2-N,2-diethylbutane-1,2-diamine
CID 65459394
2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine
CID 80557289
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine
CID 167034728
2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009371
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine (CID 107397828) is 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine is CCCCCCC(C)(CN)N(CC)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine?
The InChIKey is PVTSNOHHEYIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-6-7-8-12-16(3,14-17)18(5-2)13-15-10-9-11-15/h15H,4-14,17H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine is sourced from PubChem (CID 107397828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).