N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine

C14H30N2 — CID 106827227

IUPACN'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCC1(C)CCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)11-15-9-10-16-12-14(3)7-5-4-6-8-14/h13,15-16H,4-12H2,1-3H3
InChIKeyZKSAVFILJLYHKF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.79
Rot. Bonds7

About N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine

N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 106827227) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID106827227
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCC1(C)CCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)11-15-9-10-16-12-14(3)7-5-4-6-8-14/h13,15-16H,4-12H2,1-3H3
InChIKeyZKSAVFILJLYHKF-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.79
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-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 63829803
2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 130601571
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
CID 126847938
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-1-amine
CID 104594825
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
CID 114094981

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine (CID 106827227) is N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCNCC1(C)CCCCC1.
What is the InChIKey of N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is ZKSAVFILJLYHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)11-15-9-10-16-12-14(3)7-5-4-6-8-14/h13,15-16H,4-12H2,1-3H3.
What are the key properties of N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine?
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 106827227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).