(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane

C10H21N3 — CID 167486720

IUPAC(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
SMILESC/N=C(/C=C(/C)N)C1CNC1.CC
InChIInChI=1S/C8H15N3.C2H6/c1-6(9)3-8(10-2)7-4-11-5-7;1-2/h3,7,11H,4-5,9H2,1-2H3;1-2H3/b6-3-,10-8-;
InChIKeyDHEBYYFHKWXHTP-MXUSMDBPSA-N
MW183.30 g/mol
LogP1.17
Rot. Bonds2

About (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane

(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane (PubChem CID 167486720) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
PubChem CID167486720
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane
SMILESC/N=C(/C=C(/C)N)C1CNC1.CC
InChIInChI=1S/C8H15N3.C2H6/c1-6(9)3-8(10-2)7-4-11-5-7;1-2/h3,7,11H,4-5,9H2,1-2H3;1-2H3/b6-3-,10-8-;
InChIKeyDHEBYYFHKWXHTP-MXUSMDBPSA-N
XLogP1.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 75282889
(Z)-N,6-dimethyl-4-methyliminohept-2-en-2-amine
CID 88953345
2-(azetidin-3-yl)-N-(3-methylpent-2-en-2-yl)prop-2-en-1-imine
CID 123170118
(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613745
(3Z)-N-ethyl-5-ethylimino-6-methylhepta-3,6-dien-3-amine
CID 134472487
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
CID 144643391

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane?
The IUPAC name of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane (CID 167486720) is (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane.
What is the SMILES notation for (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane?
The canonical SMILES for (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane is C/N=C(/C=C(/C)N)C1CNC1.CC.
What is the InChIKey of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane?
The InChIKey is DHEBYYFHKWXHTP-MXUSMDBPSA-N. The full InChI is InChI=1S/C8H15N3.C2H6/c1-6(9)3-8(10-2)7-4-11-5-7;1-2/h3,7,11H,4-5,9H2,1-2H3;1-2H3/b6-3-,10-8-;.
What are the key properties of (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane?
(Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane has a molecular weight of 183.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(azetidin-3-yl)-4-methyliminobut-2-en-2-amine;ethane is sourced from PubChem (CID 167486720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).