N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine

C13H28N2 — CID 66047604

IUPACN'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
SMILESC=C(CC)CNCCCCN(C)C(C)C
InChIInChI=1S/C13H28N2/c1-6-13(4)11-14-9-7-8-10-15(5)12(2)3/h12,14H,4,6-11H2,1-3,5H3
InChIKeyFAFXVTYQWDEFNK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds9

About N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine

N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 66047604) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
PubChem CID66047604
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
SMILESC=C(CC)CNCCCCN(C)C(C)C
InChIInChI=1S/C13H28N2/c1-6-13(4)11-14-9-7-8-10-15(5)12(2)3/h12,14H,4,6-11H2,1-3,5H3
InChIKeyFAFXVTYQWDEFNK-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79167644
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518
N'-ethyl-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046180
N-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]acetamide
CID 106045584
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
propan-2-yl 2-[3-[methyl(propan-2-yl)amino]propylamino]acetate
CID 106036436
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine (CID 66047604) is N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine is C=C(CC)CNCCCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is FAFXVTYQWDEFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-13(4)11-14-9-7-8-10-15(5)12(2)3/h12,14H,4,6-11H2,1-3,5H3.
What are the key properties of N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine?
N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 66047604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).