N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine

C9H22N2 — CID 57031301

IUPACN,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCNCCCCN(C)C(C)C
InChIInChI=1S/C9H22N2/c1-9(2)11(4)8-6-5-7-10-3/h9-10H,5-8H2,1-4H3
InChIKeyYHQFVIBIYUGGDS-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds6

About N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine

N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 57031301) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID57031301
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCNCCCCN(C)C(C)C
InChIInChI=1S/C9H22N2/c1-9(2)11(4)8-6-5-7-10-3/h9-10H,5-8H2,1-4H3
InChIKeyYHQFVIBIYUGGDS-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine;ethane;7-methyl-4,7-diazaspiro[2.5]octane
CID 164882612
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine (CID 57031301) is N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine is CNCCCCN(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is YHQFVIBIYUGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-9(2)11(4)8-6-5-7-10-3/h9-10H,5-8H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine?
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 57031301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).