azane;2,2-dimethylbutane;propane-1,3-diamine

C9H30N4 — CID 173127451

IUPACazane;2,2-dimethylbutane;propane-1,3-diamine
SMILESCCC(C)(C)C.N.N.NCCCN
InChIInChI=1S/C6H14.C3H10N2.2H3N/c1-5-6(2,3)4;4-2-1-3-5;;/h5H2,1-4H3;1-5H2;2*1H3
InChIKeyWMQIJCUGVLNLSR-UHFFFAOYSA-N
MW194.37 g/mol
LogP2.06
Rot. Bonds2

About azane;2,2-dimethylbutane;propane-1,3-diamine

azane;2,2-dimethylbutane;propane-1,3-diamine (PubChem CID 173127451) has the molecular formula C9H30N4 and a molecular weight of 194.37 g/mol. Its IUPAC name is azane;2,2-dimethylbutane;propane-1,3-diamine.

Molecular Properties

Compound Nameazane;2,2-dimethylbutane;propane-1,3-diamine
PubChem CID173127451
Molecular FormulaC9H30N4
Molecular Weight194.37 g/mol
Exact Mass194.25
IUPAC Nameazane;2,2-dimethylbutane;propane-1,3-diamine
SMILESCCC(C)(C)C.N.N.NCCCN
InChIInChI=1S/C6H14.C3H10N2.2H3N/c1-5-6(2,3)4;4-2-1-3-5;;/h5H2,1-4H3;1-5H2;2*1H3
InChIKeyWMQIJCUGVLNLSR-UHFFFAOYSA-N
XLogP2.06
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

propane-1,3-diamine;propane-2,2-diamine
CID 159356345
4,4-dimethylpentan-1-amine
CID 14454757
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
3,3-diethylhexane-1,6-diamine
CID 89464851
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
18,18-diethylicosan-1-amine
CID 87504312
lithium;2,2-dimethylbutane;hydride
CID 174323452
5,5-dimethylhexan-1-amine;hydrochloride
CID 143616686
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604

Frequently Asked Questions

What is the IUPAC name of azane;2,2-dimethylbutane;propane-1,3-diamine?
The IUPAC name of azane;2,2-dimethylbutane;propane-1,3-diamine (CID 173127451) is azane;2,2-dimethylbutane;propane-1,3-diamine.
What is the SMILES notation for azane;2,2-dimethylbutane;propane-1,3-diamine?
The canonical SMILES for azane;2,2-dimethylbutane;propane-1,3-diamine is CCC(C)(C)C.N.N.NCCCN.
What is the InChIKey of azane;2,2-dimethylbutane;propane-1,3-diamine?
The InChIKey is WMQIJCUGVLNLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H10N2.2H3N/c1-5-6(2,3)4;4-2-1-3-5;;/h5H2,1-4H3;1-5H2;2*1H3.
What are the key properties of azane;2,2-dimethylbutane;propane-1,3-diamine?
azane;2,2-dimethylbutane;propane-1,3-diamine has a molecular weight of 194.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-dimethylbutane;propane-1,3-diamine is sourced from PubChem (CID 173127451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).