N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine

C13H28N2 — CID 103070056

IUPACN-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(CCCC)C(C)CC
InChIInChI=1S/C13H28N2/c1-6-8-9-15(13(4)7-2)11-12(3)10-14-5/h13-14H,3,6-11H2,1-2,4-5H3
InChIKeyCHELRMQKFQDCGM-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds9

About N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine

N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103070056) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103070056
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(CCCC)C(C)CC
InChIInChI=1S/C13H28N2/c1-6-8-9-15(13(4)7-2)11-12(3)10-14-5/h13-14H,3,6-11H2,1-2,4-5H3
InChIKeyCHELRMQKFQDCGM-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N-butyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070057
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069188
N-methyl-2-methylidene-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 103070963
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
CID 103070042
N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069214
N-methyl-2-methylidenedecan-1-amine
CID 126493414
N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62411588
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103070056) is N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(CCCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is CHELRMQKFQDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-8-9-15(13(4)7-2)11-12(3)10-14-5/h13-14H,3,6-11H2,1-2,4-5H3.
What are the key properties of N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine?
N-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-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-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).