N-prop-2-enylpropan-2-amine

C12H26N2 — CID 159979595

IUPACN-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)C.C=CCNC(C)C
InChIInChI=1S/2C6H13N/c2*1-4-5-7-6(2)3/h2*4,6-7H,1,5H2,2-3H3
InChIKeyOFOWAGKXKHQACD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.34
Rot. Bonds6

About N-prop-2-enylpropan-2-amine

N-prop-2-enylpropan-2-amine (PubChem CID 159979595) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-prop-2-enylpropan-2-amine
PubChem CID159979595
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-prop-2-enylpropan-2-amine
SMILESC=CCNC(C)C.C=CCNC(C)C
InChIInChI=1S/2C6H13N/c2*1-4-5-7-6(2)3/h2*4,6-7H,1,5H2,2-3H3
InChIKeyOFOWAGKXKHQACD-UHFFFAOYSA-N
XLogP2.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Prop-2-en-1-yl)(propan-2-yl)amine
CID 520711
2-Butene-1,4-diamine, N1,N4-diethyl-
CID 5369081
Allylethylamine
CID 72885
N,N'-Di-2-propenyl-1,3-propanediamine
CID 10630734
(Prop-2-en-1-yl)(propan-2-yl)amine hydrochloride
CID 20193692
N-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 146444
N,N'-Diisopropyl-2-butene-1,4-diamine
CID 6450909
1,6,11-Triisopropyl-di-2-butenylenetriamine
CID 6450915
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 86717695
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine
CID 87361427
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 170853109
(E)-N,N'-dipropylbut-2-ene-1,4-diamine
CID 12397196

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpropan-2-amine?
The IUPAC name of N-prop-2-enylpropan-2-amine (CID 159979595) is N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-prop-2-enylpropan-2-amine is C=CCNC(C)C.C=CCNC(C)C.
What is the InChIKey of N-prop-2-enylpropan-2-amine?
The InChIKey is OFOWAGKXKHQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N/c2*1-4-5-7-6(2)3/h2*4,6-7H,1,5H2,2-3H3.
What are the key properties of N-prop-2-enylpropan-2-amine?
N-prop-2-enylpropan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 159979595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).