1-(4-aminobutyl)-1-(3-methylbutyl)guanidine

C10H24N4 — CID 560148

IUPAC1-(4-aminobutyl)-1-(3-methylbutyl)guanidine
SMILES[H]/N=C(\N)N(CCCCN)CCC(C)C
InChIInChI=1S/C10H24N4/c1-9(2)5-8-14(10(12)13)7-4-3-6-11/h9H,3-8,11H2,1-2H3,(H3,12,13)
InChIKeyWFTDKQZEBSYUGM-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.97
Rot. Bonds7

About 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine

1-(4-aminobutyl)-1-(3-methylbutyl)guanidine (PubChem CID 560148) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-(4-aminobutyl)-1-(3-methylbutyl)guanidine
PubChem CID560148
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name1-(4-aminobutyl)-1-(3-methylbutyl)guanidine
SMILES[H]/N=C(\N)N(CCCCN)CCC(C)C
InChIInChI=1S/C10H24N4/c1-9(2)5-8-14(10(12)13)7-4-3-6-11/h9H,3-8,11H2,1-2H3,(H3,12,13)
InChIKeyWFTDKQZEBSYUGM-UHFFFAOYSA-N
XLogP0.97
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N,N-diisoamyl-guanidine
CID 103670835
Diamidinospermidine
CID 129680481
1,1-Bis(2-methylpropyl)guanidine
CID 9485
Biguanide, 1-isopentyl-1-methyl-, monohydrochloride
CID 145945242
1,2-Diethyl-1-(3-methylbutyl)guanidine
CID 21191512
1-(3-Aminopropyl)-1-ethylguanidine
CID 23337728
1-(4-Aminobutyl)-1-(3-aminopropyl)guanidine
CID 53795416
1-(3-Aminopropyl)-1-propylguanidine
CID 53914612
3-(Diaminomethylidene)-1-methyl-1-(3-methylbutyl)guanidine
CID 79006415
1,1-Dimethyl-3,3-bis(2-methylpropyl)guanidine
CID 87304834
1-[3-(4-Aminobutylamino)propyl]-1-carbamimidoylguanidine
CID 87865251
2-Cyano-1,1-bis(3-methylbutyl)guanidine
CID 88726763

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine?
The IUPAC name of 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine (CID 560148) is 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine?
The canonical SMILES for 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine is [H]/N=C(\N)N(CCCCN)CCC(C)C.
What is the InChIKey of 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine?
The InChIKey is WFTDKQZEBSYUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-9(2)5-8-14(10(12)13)7-4-3-6-11/h9H,3-8,11H2,1-2H3,(H3,12,13).
What are the key properties of 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine?
1-(4-aminobutyl)-1-(3-methylbutyl)guanidine has a molecular weight of 200.33 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 560148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).