N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine

C17H34N2O — CID 66255259

IUPACN-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
SMILESCCCNC1COCC1CN1CCCC(CCC)CC1
InChIInChI=1S/C17H34N2O/c1-3-6-15-7-5-10-19(11-8-15)12-16-13-20-14-17(16)18-9-4-2/h15-18H,3-14H2,1-2H3
InChIKeyNBAVTJZNAPQWOX-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine

N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine (PubChem CID 66255259) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
PubChem CID66255259
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
SMILESCCCNC1COCC1CN1CCCC(CCC)CC1
InChIInChI=1S/C17H34N2O/c1-3-6-15-7-5-10-19(11-8-15)12-16-13-20-14-17(16)18-9-4-2/h15-18H,3-14H2,1-2H3
InChIKeyNBAVTJZNAPQWOX-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
CID 113335831
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine
CID 66371661
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 103060409
4-[(2-methylpiperidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 66256953
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801
1-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 66259329
N-ethyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]oxolan-3-amine
CID 66258170
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine?
The IUPAC name of N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine (CID 66255259) is N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine is CCCNC1COCC1CN1CCCC(CCC)CC1.
What is the InChIKey of N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine?
The InChIKey is NBAVTJZNAPQWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-6-15-7-5-10-19(11-8-15)12-16-13-20-14-17(16)18-9-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine?
N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66255259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).