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

C15H29NO — CID 82934192

IUPACN-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCCCCC2)CCOC1
InChIInChI=1S/C15H29NO/c1-13(2)16-11-15(9-10-17-12-15)14-7-5-3-4-6-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeyYFGSOFVESQCPNT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

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

N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine (PubChem CID 82934192) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
PubChem CID82934192
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCCCCC2)CCOC1
InChIInChI=1S/C15H29NO/c1-13(2)16-11-15(9-10-17-12-15)14-7-5-3-4-6-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeyYFGSOFVESQCPNT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

N-[(3-cyclohexyloxolan-3-yl)methyl]-2-methylpropan-1-amine
CID 82933491
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
N-[(3-cyclopropyloxolan-3-yl)methyl]ethanamine
CID 104819411
N-[[4-(1,1-dioxothiolan-3-yl)oxan-4-yl]methyl]propan-2-amine
CID 62907476
N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
CID 82933709
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
N-[(4-cyclopentyloxan-4-yl)methyl]-2-methylpropan-2-amine
CID 82932929
N-[(3-cyclopentyl-2-methyloxolan-3-yl)methyl]propan-2-amine
CID 114534707
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867

Frequently Asked Questions

What is the IUPAC name of N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine (CID 82934192) is N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine is CC(C)NCC1(C2CCCCCC2)CCOC1.
What is the InChIKey of N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine?
The InChIKey is YFGSOFVESQCPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)16-11-15(9-10-17-12-15)14-7-5-3-4-6-8-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine?
N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cycloheptyloxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 82934192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).