1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride

C8H20ClN5 — CID 176517139

IUPAC1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N)NCCCC(C)C
InChIInChI=1S/C8H19N5.ClH/c1-6(2)4-3-5-12-8(11)13-7(9)10;/h6H,3-5H2,1-2H3,(H6,9,10,11,12,13);1H
InChIKeyPBYAZFCROWGGGH-UHFFFAOYSA-N
MW221.74 g/mol
LogP0.64
Rot. Bonds4

About 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride

1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride (PubChem CID 176517139) has the molecular formula C8H20ClN5 and a molecular weight of 221.74 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride
PubChem CID176517139
Molecular FormulaC8H20ClN5
Molecular Weight221.74 g/mol
Exact Mass221.14
IUPAC Name1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(/N=C(N)N)NCCCC(C)C
InChIInChI=1S/C8H19N5.ClH/c1-6(2)4-3-5-12-8(11)13-7(9)10;/h6H,3-5H2,1-2H3,(H6,9,10,11,12,13);1H
InChIKeyPBYAZFCROWGGGH-UHFFFAOYSA-N
XLogP0.64
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.74
LogP ≤ 50.64
H-Bond Donors ≤ 54
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'}

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Related Compounds

[1-(3-methylbutylamino)-1-oxopropan-2-yl] N-(diaminomethylidene)carbamimidothioate
CID 83082512
3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
CID 63004736
1-amino-3-(4-methylpentyl)urea
CID 63004667
2-(11-methyldodecylamino)guanidine
CID 11580168
3-imino-9-methyldecan-2-amine
CID 123211066
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
N-(4-methylpentyl)propanamide
CID 54140551
1-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylpentyl)urea
CID 111618516
2-(methylamino)-N-(5-methylhexyl)butanediamide
CID 146635024
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
1-amino-2-methyl-3-(5-methylhexyl)guanidine
CID 104882389

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride (CID 176517139) is 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride is Cl.[H]/N=C(/N=C(N)N)NCCCC(C)C.
What is the InChIKey of 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride?
The InChIKey is PBYAZFCROWGGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5.ClH/c1-6(2)4-3-5-12-8(11)13-7(9)10;/h6H,3-5H2,1-2H3,(H6,9,10,11,12,13);1H.
What are the key properties of 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride?
1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride has a molecular weight of 221.74 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-(4-methylpentyl)guanidine;hydrochloride is sourced from PubChem (CID 176517139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).