2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine

C14H30N2O2 — CID 54985662

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCN(CCOC)C1CCCCC1CN
InChIInChI=1S/C14H30N2O2/c1-17-10-5-8-16(9-11-18-2)14-7-4-3-6-13(14)12-15/h13-14H,3-12,15H2,1-2H3
InChIKeyKMPJFHPNBFZPTK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.49
Rot. Bonds9

About 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine

2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine (PubChem CID 54985662) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
PubChem CID54985662
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
SMILESCOCCCN(CCOC)C1CCCCC1CN
InChIInChI=1S/C14H30N2O2/c1-17-10-5-8-16(9-11-18-2)14-7-4-3-6-13(14)12-15/h13-14H,3-12,15H2,1-2H3
InChIKeyKMPJFHPNBFZPTK-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588483
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
CID 43588484
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
CID 54985664
methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate
CID 115533614
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
CID 103340388
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 55000765
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine (CID 54985662) is 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine is COCCCN(CCOC)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine?
The InChIKey is KMPJFHPNBFZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-17-10-5-8-16(9-11-18-2)14-7-4-3-6-13(14)12-15/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine?
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 54985662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).