1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine

C11H22ClNO — CID 65025269

IUPAC1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
SMILESCCC(C)(CCl)NCC1CCOCC1
InChIInChI=1S/C11H22ClNO/c1-3-11(2,9-12)13-8-10-4-6-14-7-5-10/h10,13H,3-9H2,1-2H3
InChIKeyQBGLOEBRYVIOQE-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.41
Rot. Bonds5

About 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine

1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine (PubChem CID 65025269) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
PubChem CID65025269
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
SMILESCCC(C)(CCl)NCC1CCOCC1
InChIInChI=1S/C11H22ClNO/c1-3-11(2,9-12)13-8-10-4-6-14-7-5-10/h10,13H,3-9H2,1-2H3
InChIKeyQBGLOEBRYVIOQE-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
N-(cyclopentylmethyl)-3-methylpentan-3-amine
CID 103746706
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
CID 115129369
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
CID 115685825
1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine
CID 107867141
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
2-methyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593638
N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
CID 131176990

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine (CID 65025269) is 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine is CCC(C)(CCl)NCC1CCOCC1.
What is the InChIKey of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine?
The InChIKey is QBGLOEBRYVIOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-11(2,9-12)13-8-10-4-6-14-7-5-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine?
1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine has a molecular weight of 219.76 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 65025269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).