2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine

C11H21NO — CID 114616949

IUPAC2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine
SMILESC=C(C)CNCCCC1CCCO1
InChIInChI=1S/C11H21NO/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h11-12H,1,3-9H2,2H3
InChIKeyYMNAXULEASFMHQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine

2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine (PubChem CID 114616949) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine
PubChem CID114616949
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine
SMILESC=C(C)CNCCCC1CCCO1
InChIInChI=1S/C11H21NO/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h11-12H,1,3-9H2,2H3
InChIKeyYMNAXULEASFMHQ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine
CID 58451782
N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 62550199
2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 55135212
3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550200
2-methyl-N-[3-(oxolan-2-yl)propyl]propan-2-amine
CID 62550203
N-[3-(oxolan-2-yl)propyl]butan-1-amine
CID 65156456
2,2-dimethyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 65163407
3-(oxolan-2-yl)-N-prop-2-enylpropan-1-amine
CID 65163434
3-methyl-N-[3-(oxolan-2-yl)propyl]butan-1-amine
CID 65163709
4-methoxy-N-[3-(oxolan-2-yl)propyl]butan-1-amine
CID 65163844
N-[3-(oxolan-2-yl)propyl]pentan-1-amine
CID 65163916
2-methyl-N-[3-(oxolan-2-yl)propyl]butan-1-amine
CID 65163960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine (CID 114616949) is 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine is C=C(C)CNCCCC1CCCO1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine?
The InChIKey is YMNAXULEASFMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)9-12-7-3-5-11-6-4-8-13-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine?
2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxolan-2-yl)propyl]prop-2-en-1-amine is sourced from PubChem (CID 114616949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).