N'-(2,2-dimethylpropyl)-N'-propylmethanediamine

C9H22N2 — CID 163960252

IUPACN'-(2,2-dimethylpropyl)-N'-propylmethanediamine
SMILESCCCN(CN)CC(C)(C)C
InChIInChI=1S/C9H22N2/c1-5-6-11(8-10)7-9(2,3)4/h5-8,10H2,1-4H3
InChIKeySGVFINMUYBCTMG-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.66
Rot. Bonds4

About N'-(2,2-dimethylpropyl)-N'-propylmethanediamine

N'-(2,2-dimethylpropyl)-N'-propylmethanediamine (PubChem CID 163960252) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N'-propylmethanediamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N'-propylmethanediamine
PubChem CID163960252
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-(2,2-dimethylpropyl)-N'-propylmethanediamine
SMILESCCCN(CN)CC(C)(C)C
InChIInChI=1S/C9H22N2/c1-5-6-11(8-10)7-9(2,3)4/h5-8,10H2,1-4H3
InChIKeySGVFINMUYBCTMG-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
N-but-3-enyl-2,2-dimethyl-N-propylpropan-1-amine;ethane
CID 176957810
1-amino-3-(dipropylamino)-2-methylpropan-2-ol
CID 64819638
N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
tert-butyl 2-[2,2-dimethylpropyl(propyl)amino]acetate
CID 159831109
N,N-diethyl-2,2-dimethylpropan-1-amine;propane
CID 159791280
1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 158877241
2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 67814456
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515
N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine
CID 167212772
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N'-propylmethanediamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N'-propylmethanediamine (CID 163960252) is N'-(2,2-dimethylpropyl)-N'-propylmethanediamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N'-propylmethanediamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N'-propylmethanediamine is CCCN(CN)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N'-propylmethanediamine?
The InChIKey is SGVFINMUYBCTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-6-11(8-10)7-9(2,3)4/h5-8,10H2,1-4H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N'-propylmethanediamine?
N'-(2,2-dimethylpropyl)-N'-propylmethanediamine has a molecular weight of 158.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N'-propylmethanediamine is sourced from PubChem (CID 163960252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).