2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine

C14H32N2O2 — CID 112723382

IUPAC2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(CCOC)CCOC
InChIInChI=1S/C14H32N2O2/c1-5-6-7-8-14(2,13-15)16(9-11-17-3)10-12-18-4/h5-13,15H2,1-4H3
InChIKeyMUVMJIJXXFANLA-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.88
Rot. Bonds12

About 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine

2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine (PubChem CID 112723382) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
PubChem CID112723382
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
SMILESCCCCCC(C)(CN)N(CCOC)CCOC
InChIInChI=1S/C14H32N2O2/c1-5-6-7-8-14(2,13-15)16(9-11-17-3)10-12-18-4/h5-13,15H2,1-4H3
InChIKeyMUVMJIJXXFANLA-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.88
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-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine
CID 80557289
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960
2-N-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
CID 116535238
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
9-methyl-N,N-dioctyloctadecan-9-amine;hydrochloride
CID 175484802
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
1-methoxy-3-methyldodecan-3-amine
CID 62620545

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine (CID 112723382) is 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine is CCCCCC(C)(CN)N(CCOC)CCOC.
What is the InChIKey of 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine?
The InChIKey is MUVMJIJXXFANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-5-6-7-8-14(2,13-15)16(9-11-17-3)10-12-18-4/h5-13,15H2,1-4H3.
What are the key properties of 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine?
2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 1.88, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine is sourced from PubChem (CID 112723382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).