2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine

C17H27N3O — CID 111160573

IUPAC2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\CC1CCCCC1)NCCc1ccco1
InChIInChI=1S/C17H27N3O/c1-2-11-18-17(19-12-10-16-9-6-13-21-16)20-14-15-7-4-3-5-8-15/h2,6,9,13,15H,1,3-5,7-8,10-12,14H2,(H2,18,19,20)
InChIKeyYPLDZFNQOBIXKD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.12
Rot. Bonds7

About 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine

2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine (PubChem CID 111160573) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
PubChem CID111160573
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\CC1CCCCC1)NCCc1ccco1
InChIInChI=1S/C17H27N3O/c1-2-11-18-17(19-12-10-16-9-6-13-21-16)20-14-15-7-4-3-5-8-15/h2,6,9,13,15H,1,3-5,7-8,10-12,14H2,(H2,18,19,20)
InChIKeyYPLDZFNQOBIXKD-UHFFFAOYSA-N
XLogP3.12
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 111355047
1-[2-(furan-2-yl)ethyl]-3-prop-2-enyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine
CID 110050606
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
2-[3-(cyclopropylmethoxy)propyl]-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine
CID 136922951
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine
CID 110051888
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-prop-2-enylguanidine;hydroiodide
CID 110982244
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111860996
2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136701224
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075
1-[2-(furan-2-yl)ethyl]-2-(3-piperidin-1-ylbutyl)-3-prop-2-enylguanidine;hydroiodide
CID 136701240
2-[(4-bromophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111548560
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 110051527

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine (CID 111160573) is 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine is C=CCN/C(=N\CC1CCCCC1)NCCc1ccco1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
The InChIKey is YPLDZFNQOBIXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-11-18-17(19-12-10-16-9-6-13-21-16)20-14-15-7-4-3-5-8-15/h2,6,9,13,15H,1,3-5,7-8,10-12,14H2,(H2,18,19,20).
What are the key properties of 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine?
2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine has a molecular weight of 289.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-[2-(furan-2-yl)ethyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 111160573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).