1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine

C9H19N5 — CID 89123901

IUPAC1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine
SMILESCCC/N=C(\N)N/C(N)=N/CC1CC1
InChIInChI=1S/C9H19N5/c1-2-5-12-8(10)14-9(11)13-6-7-3-4-7/h7H,2-6H2,1H3,(H5,10,11,12,13,14)
InChIKeyMFLDNFFKMZPXOH-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.03
Rot. Bonds4

About 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine

1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine (PubChem CID 89123901) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine
PubChem CID89123901
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine
SMILESCCC/N=C(\N)N/C(N)=N/CC1CC1
InChIInChI=1S/C9H19N5/c1-2-5-12-8(10)14-9(11)13-6-7-3-4-7/h7H,2-6H2,1H3,(H5,10,11,12,13,14)
InChIKeyMFLDNFFKMZPXOH-UHFFFAOYSA-N
XLogP0.03
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N1,N5-dibutylbiguanide hydrochloride
CID 86583240
2-butyl-1-(N'-butylcarbamimidoyl)guanidine
CID 58402
1-(N'-butylcarbamimidoyl)-2-methylguanidine
CID 13666744
2-propyl-1-(N'-propylcarbamimidoyl)guanidine
CID 18718357
1-(N'-butylcarbamimidoyl)-2-ethylguanidine
CID 20694180
1-Cyano-2-(cyclopropylmethyl)guanidine
CID 21492999
1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-hexylguanidine;hydrochloride
CID 53307318
1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-hexylguanidine
CID 53307319
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 53307567
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
CID 76005605
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 76005606
1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine;hydrochloride
CID 89123933

Frequently Asked Questions

What is the IUPAC name of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine?
The IUPAC name of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine (CID 89123901) is 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine.
What is the SMILES notation for 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine?
The canonical SMILES for 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine is CCC/N=C(\N)N/C(N)=N/CC1CC1.
What is the InChIKey of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine?
The InChIKey is MFLDNFFKMZPXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-2-5-12-8(10)14-9(11)13-6-7-3-4-7/h7H,2-6H2,1H3,(H5,10,11,12,13,14).
What are the key properties of 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine?
1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine has a molecular weight of 197.29 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(cyclopropylmethyl)carbamimidoyl]-2-propylguanidine is sourced from PubChem (CID 89123901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).