N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine

C14H30N2 — CID 103069309

IUPACN-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)CC(C)CC
InChIInChI=1S/C14H30N2/c1-8-12(2)10-16(7)11-13(3)9-15-14(4,5)6/h12,15H,3,8-11H2,1-2,4-7H3
InChIKeyOCHTWUCRAURVMZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.91
Rot. Bonds7

About N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine

N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine (PubChem CID 103069309) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
PubChem CID103069309
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)CC(C)CC
InChIInChI=1S/C14H30N2/c1-8-12(2)10-16(7)11-13(3)9-15-14(4,5)6/h12,15H,3,8-11H2,1-2,4-7H3
InChIKeyOCHTWUCRAURVMZ-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.91
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

4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
CID 103071291
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
2-[2-[(tert-butylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069967
N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine
CID 55194829
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
CID 103070338
N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 103069590
N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103071055
N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069350
3-(tert-butylamino)-N-methyl-N-(2-methylbutyl)propanamide
CID 60850241
3-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]propan-1-ol
CID 103071277
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069606

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine (CID 103069309) is N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)CC(C)CC.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine?
The InChIKey is OCHTWUCRAURVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-8-12(2)10-16(7)11-13(3)9-15-14(4,5)6/h12,15H,3,8-11H2,1-2,4-7H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine?
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).