N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C14H32N2O — CID 103033282

IUPACN-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCOC(C)(C)CCNCCCCN(C)C(C)C
InChIInChI=1S/C14H32N2O/c1-13(2)16(5)12-8-7-10-15-11-9-14(3,4)17-6/h13,15H,7-12H2,1-6H3
InChIKeyOLQVWEBWJZXRRQ-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds10

About N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 103033282) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID103033282
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCOC(C)(C)CCNCCCCN(C)C(C)C
InChIInChI=1S/C14H32N2O/c1-13(2)16(5)12-8-7-10-15-11-9-14(3,4)17-6/h13,15H,7-12H2,1-6H3
InChIKeyOLQVWEBWJZXRRQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
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

N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
2-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 113233457
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 103033282) is N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is COC(C)(C)CCNCCCCN(C)C(C)C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is OLQVWEBWJZXRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-13(2)16(5)12-8-7-10-15-11-9-14(3,4)17-6/h13,15H,7-12H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 103033282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).