ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium

C9H19N2+ — CID 123434448

IUPACethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium
SMILESC=CC(CC)NC[N+](=C)CC
InChIInChI=1S/C9H19N2/c1-5-9(6-2)10-8-11(4)7-3/h5,9-10H,1,4,6-8H2,2-3H3/q+1
InChIKeyFCWSJECCXQPFHD-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.23
Rot. Bonds6

About ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium

ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium (PubChem CID 123434448) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium.

Molecular Properties

Compound Nameethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium
PubChem CID123434448
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Nameethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium
SMILESC=CC(CC)NC[N+](=C)CC
InChIInChI=1S/C9H19N2/c1-5-9(6-2)10-8-11(4)7-3/h5,9-10H,1,4,6-8H2,2-3H3/q+1
InChIKeyFCWSJECCXQPFHD-UHFFFAOYSA-N
XLogP1.23
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-N'-hexa-1,5-dien-3-ylethane-1,1-diamine
CID 88645132
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine
CID 90453474
(1Z)-1-N-ethyl-2-methyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine
CID 90453860
1-N-but-3-en-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
CID 131995797
N-[1-(methylideneamino)ethenyl]hex-5-en-3-amine
CID 132126655
(5Z)-3,8-dimethyl-2,4,7,8-tetrahydro-1H-1,3-diazocine
CID 132149292
1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine
CID 139506663
N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine
CID 154937187
N'-[[but-3-enyl(methyl)amino]methyl]-N'-methyl-N-propan-2-ylmethanediamine
CID 155275089
1-N'-but-3-en-2-yl-1-N,1-N'-dimethylethane-1,1-diamine
CID 156543184
N'-pent-4-en-2-yl-N-propan-2-ylmethanediamine
CID 163522783

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium?
The IUPAC name of ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium (CID 123434448) is ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium.
What is the SMILES notation for ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium?
The canonical SMILES for ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium is C=CC(CC)NC[N+](=C)CC.
What is the InChIKey of ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium?
The InChIKey is FCWSJECCXQPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-5-9(6-2)10-8-11(4)7-3/h5,9-10H,1,4,6-8H2,2-3H3/q+1.
What are the key properties of ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium?
ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium has a molecular weight of 155.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-[(pent-1-en-3-ylamino)methyl]azanium is sourced from PubChem (CID 123434448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).