2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine

C14H32N2O3 — CID 66180809

IUPAC2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
SMILESCCC(C)N(CCOC)C(C)(CN)CC(OC)OC
InChIInChI=1S/C14H32N2O3/c1-7-12(2)16(8-9-17-4)14(3,11-15)10-13(18-5)19-6/h12-13H,7-11,15H2,1-6H3
InChIKeyNVECGWDLKZVKBI-UHFFFAOYSA-N
MW276.42 g/mol
LogP1.46
Rot. Bonds11

About 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine

2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine (PubChem CID 66180809) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
PubChem CID66180809
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
SMILESCCC(C)N(CCOC)C(C)(CN)CC(OC)OC
InChIInChI=1S/C14H32N2O3/c1-7-12(2)16(8-9-17-4)14(3,11-15)10-13(18-5)19-6/h12-13H,7-11,15H2,1-6H3
InChIKeyNVECGWDLKZVKBI-UHFFFAOYSA-N
XLogP1.46
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867563
4,4-dimethoxy-2-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylbutane-1,2-diamine
CID 66180810
4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 66181011
4,4-dimethoxy-2-N,2-dimethyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 66178833
6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
CID 116535238
2-N-(2-methoxyethyl)-2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 82948952
1-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylpropan-2-ol
CID 64821364
2-N,2-N-bis(2-methoxyethyl)-2-methylheptane-1,2-diamine
CID 112723382
N-butan-2-yl-3-methyl-N-propylpentan-3-amine
CID 138752395
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867538
2-N-butan-2-yl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43274363
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine (CID 66180809) is 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine is CCC(C)N(CCOC)C(C)(CN)CC(OC)OC.
What is the InChIKey of 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
The InChIKey is NVECGWDLKZVKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-7-12(2)16(8-9-17-4)14(3,11-15)10-13(18-5)19-6/h12-13H,7-11,15H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine?
2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 1.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4,4-dimethoxy-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66180809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).