1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine

C9H19N5 — CID 83032026

IUPAC1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC1CC1)C(C)C
InChIInChI=1S/C9H19N5/c1-6(2)14(5-7-3-4-7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyIDFVQQGHLHPDKI-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.31
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine

1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine (PubChem CID 83032026) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine
PubChem CID83032026
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC1CC1)C(C)C
InChIInChI=1S/C9H19N5/c1-6(2)14(5-7-3-4-7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13)
InChIKeyIDFVQQGHLHPDKI-UHFFFAOYSA-N
XLogP0.31
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
3-(diaminomethylidene)-1-[(2,4-dichlorophenyl)methyl]-1-propan-2-ylguanidine;hydrochloride
CID 121003349
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
CID 104903331
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026
N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
CID 112729409
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 65465577
2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
CID 86583226

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine (CID 83032026) is 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine is [H]/N=C(\N=C(N)N)N(CC1CC1)C(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine?
The InChIKey is IDFVQQGHLHPDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-6(2)14(5-7-3-4-7)9(12)13-8(10)11/h6-7H,3-5H2,1-2H3,(H5,10,11,12,13).
What are the key properties of 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine?
1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine has a molecular weight of 197.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine is sourced from PubChem (CID 83032026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).