1,1-bis(2-methylpropyl)guanidine

C9H21N3 — CID 9485

IUPAC1,1-bis(2-methylpropyl)guanidine
SMILES[H]/N=C(\N)N(CC(C)C)CC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-12(9(10)11)6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKeyWALDZXWGTQALJM-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.49
Rot. Bonds4

About 1,1-bis(2-methylpropyl)guanidine

1,1-bis(2-methylpropyl)guanidine (PubChem CID 9485) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,1-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1,1-bis(2-methylpropyl)guanidine
PubChem CID9485
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,1-bis(2-methylpropyl)guanidine
SMILES[H]/N=C(\N)N(CC(C)C)CC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-12(9(10)11)6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKeyWALDZXWGTQALJM-UHFFFAOYSA-N
XLogP1.49
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
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

N,N,N',N'-Tetraethylguanidine
CID 234841
Dibutylguanidine
CID 9496
N-methyl-N-(2-methylpropyl)guanidine hydrochloride
CID 126805767
Methyl-propylguanidine
CID 18614735
1,1-Dipentylguanidine
CID 21218368
Trimethyl propylguanidine
CID 54447877
N,N-diisoamyl-guanidine
CID 103670835
n,n-Dipropyl-guanidine
CID 9494
Guanidine, 1-(4-aminobutyl)-1-isopentyl-
CID 560148
Carbamimidoyl-tri(propan-2-yl)azanium
CID 123800531
1-Butyl-1,3,3-trimethylguanidine
CID 18952266
1,1,2-Tripropylguanidine
CID 19361178

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methylpropyl)guanidine?
The IUPAC name of 1,1-bis(2-methylpropyl)guanidine (CID 9485) is 1,1-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 1,1-bis(2-methylpropyl)guanidine?
The canonical SMILES for 1,1-bis(2-methylpropyl)guanidine is [H]/N=C(\N)N(CC(C)C)CC(C)C.
What is the InChIKey of 1,1-bis(2-methylpropyl)guanidine?
The InChIKey is WALDZXWGTQALJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)5-12(9(10)11)6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11).
What are the key properties of 1,1-bis(2-methylpropyl)guanidine?
1,1-bis(2-methylpropyl)guanidine has a molecular weight of 171.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 9485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).