1-N'-(2-methylpropyl)cyclohexane-1,1-diamine

C10H22N2 — CID 175006053

IUPAC1-N'-(2-methylpropyl)cyclohexane-1,1-diamine
SMILESCC(C)CNC1(N)CCCCC1
InChIInChI=1S/C10H22N2/c1-9(2)8-12-10(11)6-4-3-5-7-10/h9,12H,3-8,11H2,1-2H3
InChIKeyNIFRWJXLTNJBKO-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.85
Rot. Bonds3

About 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine

1-N'-(2-methylpropyl)cyclohexane-1,1-diamine (PubChem CID 175006053) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-methylpropyl)cyclohexane-1,1-diamine
PubChem CID175006053
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N'-(2-methylpropyl)cyclohexane-1,1-diamine
SMILESCC(C)CNC1(N)CCCCC1
InChIInChI=1S/C10H22N2/c1-9(2)8-12-10(11)6-4-3-5-7-10/h9,12H,3-8,11H2,1-2H3
InChIKeyNIFRWJXLTNJBKO-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-bis(2-methylpropyl)cyclohexane-1,1-diamine
CID 137443011
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
1-N'-methylcyclooctane-1,1-diamine
CID 70269680
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
[8-(2-methylpropylamino)spiro[4.5]decan-8-yl]methanol
CID 114819869
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
CID 126847938
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
CID 102912617
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine?
The IUPAC name of 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine (CID 175006053) is 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine?
The canonical SMILES for 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine is CC(C)CNC1(N)CCCCC1.
What is the InChIKey of 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine?
The InChIKey is NIFRWJXLTNJBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)8-12-10(11)6-4-3-5-7-10/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine?
1-N'-(2-methylpropyl)cyclohexane-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylpropyl)cyclohexane-1,1-diamine is sourced from PubChem (CID 175006053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).