4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine

C18H38N4 — CID 170444568

IUPAC4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine
SMILESCC(CC1C(C(C)CCN)C1C1CC(N)C(C(C)C)C1)NN
InChIInChI=1S/C18H38N4/c1-10(2)14-8-13(9-16(14)20)18-15(7-12(4)22-21)17(18)11(3)5-6-19/h10-18,22H,5-9,19-21H2,1-4H3
InChIKeyYOAHWDWHZBZHMZ-UHFFFAOYSA-N
MW310.53 g/mol
LogP2.08
Rot. Bonds8

About 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine

4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine (PubChem CID 170444568) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine
PubChem CID170444568
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine
SMILESCC(CC1C(C(C)CCN)C1C1CC(N)C(C(C)C)C1)NN
InChIInChI=1S/C18H38N4/c1-10(2)14-8-13(9-16(14)20)18-15(7-12(4)22-21)17(18)11(3)5-6-19/h10-18,22H,5-9,19-21H2,1-4H3
InChIKeyYOAHWDWHZBZHMZ-UHFFFAOYSA-N
XLogP2.08
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-ylbicyclo[4.1.0]heptan-3-amine
CID 174265608
3-(2-methylcyclopropyl)butan-1-amine
CID 90983194
5-methyl-7-propan-2-yltricyclo[4.2.1.03,9]nonane
CID 163855339
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 163871829
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
CID 170528391
3-(4-methylcyclohexyl)butan-1-amine
CID 81013064
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
CID 72926431
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine (CID 170444568) is 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine is CC(CC1C(C(C)CCN)C1C1CC(N)C(C(C)C)C1)NN.
What is the InChIKey of 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine?
The InChIKey is YOAHWDWHZBZHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-10(2)14-8-13(9-16(14)20)18-15(7-12(4)22-21)17(18)11(3)5-6-19/h10-18,22H,5-9,19-21H2,1-4H3.
What are the key properties of 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine?
4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 2.08, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminobutan-2-yl)-3-(2-hydrazinylpropyl)cyclopropyl]-2-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 170444568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).