3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine

C14H27N3 — CID 109483025

IUPAC3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CC1
InChIInChI=1S/C14H27N3/c1-4-5-6-7-8-11-17(3)14(15-2)16-12-13-9-10-13/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyKLSKOKLONLSGDS-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.65
Rot. Bonds8

About 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine

3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483025) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483025
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CC1
InChIInChI=1S/C14H27N3/c1-4-5-6-7-8-11-17(3)14(15-2)16-12-13-9-10-13/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyKLSKOKLONLSGDS-UHFFFAOYSA-N
XLogP2.65
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483025) is 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is KLSKOKLONLSGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-5-6-7-8-11-17(3)14(15-2)16-12-13-9-10-13/h4,13H,1,5-12H2,2-3H3,(H,15,16).
What are the key properties of 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine?
3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).