3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine

C13H25NO — CID 66037811

IUPAC3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCCO1
InChIInChI=1S/C13H25NO/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h12-14H,3-10H2,1-2H3
InChIKeyRODLLHCYMLHQHL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine

3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 66037811) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID66037811
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCCO1
InChIInChI=1S/C13H25NO/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h12-14H,3-10H2,1-2H3
InChIKeyRODLLHCYMLHQHL-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
CID 79664074
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-(2-methylcyclopentyl)-3-methylidene-N-propylpentan-1-amine
CID 107189799
3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543
N-ethyl-3-methyl-1-(oxan-2-yl)but-3-en-1-amine
CID 105004067
3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
CID 80627297
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005744

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine (CID 66037811) is 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine is C=C(CC)CC(NCCC)C1CCCO1.
What is the InChIKey of 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is RODLLHCYMLHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h12-14H,3-10H2,1-2H3.
What are the key properties of 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine?
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 66037811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).