N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane

C13H26N2 — CID 145198414

IUPACN,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
SMILESC=C(C)/N=C/C(=C)C(C)CCNC.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-8-11(4)10(3)6-7-12-5;1-2/h8,10,12H,1,4,6-7H2,2-3,5H3;1-2H3/b13-8+;
InChIKeyVWPKKPFKQFYFHO-FNXZNAJJSA-N
MW210.36 g/mol
LogP3.42
Rot. Bonds6

About N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane

N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane (PubChem CID 145198414) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane.

Molecular Properties

Compound NameN,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
PubChem CID145198414
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
SMILESC=C(C)/N=C/C(=C)C(C)CCNC.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-8-11(4)10(3)6-7-12-5;1-2/h8,10,12H,1,4,6-7H2,2-3,5H3;1-2H3/b13-8+;
InChIKeyVWPKKPFKQFYFHO-FNXZNAJJSA-N
XLogP3.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-2-ethyl-5-methylhept-2-enylidene]amino]-N-methyloct-2-en-4-amine
CID 123239793
2,2-dimethyl-5-pentan-2-yl-1H-pyrazine
CID 132065980
N,3-dimethyl-4-(prop-2-enylideneamino)pent-4-en-1-amine
CID 144562386
2-methyl-N-(1-pyrrolidin-3-ylethenyl)prop-2-en-1-imine
CID 145374675
N-(1-imino-4-methylpentan-2-yl)-5-methylhex-1-en-2-amine
CID 145519770
3-ethyl-5-imino-N-methylpent-1-en-2-amine
CID 156315151
(Z)-1-(ethylideneamino)-N,3,4-trimethylhex-1-en-2-amine
CID 156370249
ethane;(E)-5-(ethylideneamino)-N,3,4-trimethylpent-4-en-1-amine;molecular hydrogen
CID 156797046
(4S)-4-[(E)-but-2-en-2-yl]-N-methyl-4,5-dihydro-3H-azepin-6-amine
CID 163592619
N-[(7-methylidene-3,4,5,6-tetrahydroazepin-4-yl)methyl]propan-2-amine
CID 166686733
4-methyl-N-(2-prop-1-en-2-yliminoethyl)pent-4-en-1-amine
CID 166944977
N-(2-ethylbutyl)-4,4-dimethyl-6-(2-methylpropylideneamino)hex-1-en-2-amine
CID 167017649

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
The IUPAC name of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane (CID 145198414) is N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane.
What is the SMILES notation for N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
The canonical SMILES for N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane is C=C(C)/N=C/C(=C)C(C)CCNC.CC.
What is the InChIKey of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
The InChIKey is VWPKKPFKQFYFHO-FNXZNAJJSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-9(2)13-8-11(4)10(3)6-7-12-5;1-2/h8,10,12H,1,4,6-7H2,2-3,5H3;1-2H3/b13-8+;.
What are the key properties of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane has a molecular weight of 210.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane is sourced from PubChem (CID 145198414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).