molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine

C18H31N — CID 144873811

IUPACmolecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC(C)C1(c2ccc(C3(N)CC3)cc2)CC1.CCC.[H][H]
InChIInChI=1S/C15H21N.C3H8.H2/c1-11(2)14(7-8-14)12-3-5-13(6-4-12)15(16)9-10-15;1-3-2;/h3-6,11H,7-10,16H2,1-2H3;3H2,1-2H3;1H
InChIKeyHVBUBMWEBOFJJI-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.98
Rot. Bonds3

About molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine

molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine (PubChem CID 144873811) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Namemolecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
PubChem CID144873811
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Namemolecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC(C)C1(c2ccc(C3(N)CC3)cc2)CC1.CCC.[H][H]
InChIInChI=1S/C15H21N.C3H8.H2/c1-11(2)14(7-8-14)12-3-5-13(6-4-12)15(16)9-10-15;1-3-2;/h3-6,11H,7-10,16H2,1-2H3;3H2,1-2H3;1H
InChIKeyHVBUBMWEBOFJJI-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
4-(1-aminocyclopropyl)-N-methylaniline
CID 55297105
4-(1-aminocyclopropyl)-N,N-diethylaniline
CID 82609357
1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
CID 118201166
4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol
CID 117112400
ethane;1-(3-methylphenyl)cyclopropan-1-amine;molecular hydrogen;propane
CID 144873819
butane;diiodovanadium;ethane;bis(4-[4-(4-hydroxyphenyl)-1-methyl-4-propan-2-ylcyclohexyl]phenol)
CID 161168662
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
1-(4-pentan-3-ylphenyl)cyclopentan-1-amine
CID 117335251
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055951

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The IUPAC name of molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine (CID 144873811) is molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine is CC(C)C1(c2ccc(C3(N)CC3)cc2)CC1.CCC.[H][H].
What is the InChIKey of molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The InChIKey is HVBUBMWEBOFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C3H8.H2/c1-11(2)14(7-8-14)12-3-5-13(6-4-12)15(16)9-10-15;1-3-2;/h3-6,11H,7-10,16H2,1-2H3;3H2,1-2H3;1H.
What are the key properties of molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 144873811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).