N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine

C17H33NO — CID 104509877

IUPACN-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
SMILESCCCCCCC1(CNC(C)C)CCOC1C1CC1
InChIInChI=1S/C17H33NO/c1-4-5-6-7-10-17(13-18-14(2)3)11-12-19-16(17)15-8-9-15/h14-16,18H,4-13H2,1-3H3
InChIKeyFSYIYNFVNLZJQB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds9

About N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine

N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine (PubChem CID 104509877) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
PubChem CID104509877
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
SMILESCCCCCCC1(CNC(C)C)CCOC1C1CC1
InChIInChI=1S/C17H33NO/c1-4-5-6-7-10-17(13-18-14(2)3)11-12-19-16(17)15-8-9-15/h14-16,18H,4-13H2,1-3H3
InChIKeyFSYIYNFVNLZJQB-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
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-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 104509867
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001
N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104510106
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine (CID 104509877) is N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine is CCCCCCC1(CNC(C)C)CCOC1C1CC1.
What is the InChIKey of N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine?
The InChIKey is FSYIYNFVNLZJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-5-6-7-10-17(13-18-14(2)3)11-12-19-16(17)15-8-9-15/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine?
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 104509877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).