N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine

C14H27NO — CID 83167933

IUPACN-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)CCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C14H27NO/c1-12(2)4-3-7-14(8-9-16-11-14)10-15-13-5-6-13/h12-13,15H,3-11H2,1-2H3
InChIKeyCNFLXQURVGNWJV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds7

About N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 83167933) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID83167933
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCC(C)CCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C14H27NO/c1-12(2)4-3-7-14(8-9-16-11-14)10-15-13-5-6-13/h12-13,15H,3-11H2,1-2H3
InChIKeyCNFLXQURVGNWJV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[bis(2-methylpropyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62257834
3-(bromomethyl)-3-(4-methylpentyl)oxolane
CID 83169759
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 65097181
N-[[3-(trimethylsilylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106323583
N-[[4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392859
4-(bromomethyl)-4-(4-methylpentyl)oxane
CID 83168882
N-[[4-(2-propan-2-yloxyethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62905041
N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63007559
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
1-[[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953501
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
CID 115690960
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine (CID 83167933) is N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine is CC(C)CCCC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is CNFLXQURVGNWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)4-3-7-14(8-9-16-11-14)10-15-13-5-6-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83167933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).