3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine

C13H25N3 — CID 109482953

IUPAC3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1
InChIInChI=1S/C13H25N3/c1-4-5-6-7-8-11-16(3)13(14-2)15-12-9-10-12/h4,12H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyLHAJGSMSUUUHJD-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.40
Rot. Bonds7

About 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine

3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109482953) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109482953
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1
InChIInChI=1S/C13H25N3/c1-4-5-6-7-8-11-16(3)13(14-2)15-12-9-10-12/h4,12H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyLHAJGSMSUUUHJD-UHFFFAOYSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

2-ethyl-1-[(3R)-3-fluorohex-5-en-2-yl]guanidine
CID 146490883
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109483545
2-(2,2-Difluoroethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483559
3-(2,2-Difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483769
3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109484215
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
1,2-dimethyl-3-[(Z)-undec-5-enyl]guanidine
CID 141676982
[Dimethylamino-(hexa-1,5-dien-3-ylamino)methylidene]-dimethylazanium bromide
CID 177251619
1-Cyclohex-3-en-1-yl-2-cyclopropylguanidine
CID 65679773
3-Cyclopropyl-2-ethyl-1-methyl-1-pent-4-enylguanidine
CID 99780291

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine (CID 109482953) is 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is LHAJGSMSUUUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-5-6-7-8-11-16(3)13(14-2)15-12-9-10-12/h4,12H,1,5-11H2,2-3H3,(H,14,15).
What are the key properties of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine?
3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 223.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109482953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).