4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine

C11H26N2 — CID 62462204

IUPAC4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
SMILESCC(C)CCN(C)C(C)CCCN
InChIInChI=1S/C11H26N2/c1-10(2)7-9-13(4)11(3)6-5-8-12/h10-11H,5-9,12H2,1-4H3
InChIKeyKWIOYLCGKGVKHR-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

About 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine

4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine (PubChem CID 62462204) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
PubChem CID62462204
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
SMILESCC(C)CCN(C)C(C)CCCN
InChIInChI=1S/C11H26N2/c1-10(2)7-9-13(4)11(3)6-5-8-12/h10-11H,5-9,12H2,1-4H3
InChIKeyKWIOYLCGKGVKHR-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
CID 61425759
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604
2-N-methyl-2-N-(3-methylbutyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 62462550
4-N-cyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62430254
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine (CID 62462204) is 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine is CC(C)CCN(C)C(C)CCCN.
What is the InChIKey of 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine?
The InChIKey is KWIOYLCGKGVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)7-9-13(4)11(3)6-5-8-12/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine?
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine is sourced from PubChem (CID 62462204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).