N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine

C15H29NO — CID 114191147

IUPACN-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
SMILESCC(C)(NCCCCC1CCOCC1)C1CC1
InChIInChI=1S/C15H29NO/c1-15(2,14-6-7-14)16-10-4-3-5-13-8-11-17-12-9-13/h13-14,16H,3-12H2,1-2H3
InChIKeyIINTVWACTNLGMC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds7

About N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine

N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine (PubChem CID 114191147) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
PubChem CID114191147
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
SMILESCC(C)(NCCCCC1CCOCC1)C1CC1
InChIInChI=1S/C15H29NO/c1-15(2,14-6-7-14)16-10-4-3-5-13-8-11-17-12-9-13/h13-14,16H,3-12H2,1-2H3
InChIKeyIINTVWACTNLGMC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine
CID 104575984
2-cyclopropyl-2-methyl-6-(oxan-4-yl)hexan-1-amine
CID 114192558
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine
CID 103949991
2-methyl-1-methylsulfanyl-3-[4-(oxan-4-yl)butylamino]propan-2-ol
CID 114191160
3-methyl-N-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
CID 114191125
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
4-methylsulfinyl-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191114
1-methoxy-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191056
4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 114191042
2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
CID 115685825
N-tert-butyl-2-cyclopropyl-2-methyl-3-(oxan-4-yl)propan-1-amine
CID 83160445

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine (CID 114191147) is N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine is CC(C)(NCCCCC1CCOCC1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine?
The InChIKey is IINTVWACTNLGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,14-6-7-14)16-10-4-3-5-13-8-11-17-12-9-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine?
N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 114191147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).