1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine

C14H30N2O — CID 79828541

IUPAC1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
SMILESCNC1C(N(C)CCCOC)CCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-14(2)9-6-8-12(13(14)15-3)16(4)10-7-11-17-5/h12-13,15H,6-11H2,1-5H3
InChIKeyZOIDQONKILUPCQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine

1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine (PubChem CID 79828541) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
PubChem CID79828541
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
SMILESCNC1C(N(C)CCCOC)CCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-14(2)9-6-8-12(13(14)15-3)16(4)10-7-11-17-5/h12-13,15H,6-11H2,1-5H3
InChIKeyZOIDQONKILUPCQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79860132
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
1-N-(cyclopentylmethyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828953
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
6-(3-methoxypropylsulfinyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847582
1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 79828998
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79859559
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine (CID 79828541) is 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine is CNC1C(N(C)CCCOC)CCCC1(C)C.
What is the InChIKey of 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine?
The InChIKey is ZOIDQONKILUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2)9-6-8-12(13(14)15-3)16(4)10-7-11-17-5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine?
1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine is sourced from PubChem (CID 79828541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).