6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine

C15H31NO — CID 113362206

IUPAC6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)CC1CCOC1
InChIInChI=1S/C15H31NO/c1-4-9-16-15(7-5-6-13(2)3)11-14-8-10-17-12-14/h13-16H,4-12H2,1-3H3
InChIKeyMOCAALSDTCVISZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds9

About 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine

6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine (PubChem CID 113362206) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine.

Molecular Properties

Compound Name6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
PubChem CID113362206
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)CC1CCOC1
InChIInChI=1S/C15H31NO/c1-4-9-16-15(7-5-6-13(2)3)11-14-8-10-17-12-14/h13-16H,4-12H2,1-3H3
InChIKeyMOCAALSDTCVISZ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
1-(1,1-dioxothiolan-3-yl)-6-methyl-N-propylheptan-2-amine
CID 105177004
9-methyl-N-propyldecan-5-amine
CID 83162126
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-N,1-N-diethyl-4-(oxan-4-yl)-3-N-propylbutane-1,3-diamine
CID 79092648
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine?
The IUPAC name of 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine (CID 113362206) is 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine.
What is the SMILES notation for 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine?
The canonical SMILES for 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine is CCCNC(CCCC(C)C)CC1CCOC1.
What is the InChIKey of 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine?
The InChIKey is MOCAALSDTCVISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-9-16-15(7-5-6-13(2)3)11-14-8-10-17-12-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine?
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine is sourced from PubChem (CID 113362206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).