N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine

C10H22ClNO — CID 106180770

IUPACN-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCOCC(CCl)NCCC(C)(C)C
InChIInChI=1S/C10H22ClNO/c1-10(2,3)5-6-12-9(7-11)8-13-4/h9,12H,5-8H2,1-4H3
InChIKeyYEODSEGBLSKTAB-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.27
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine

N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine (PubChem CID 106180770) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
PubChem CID106180770
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine
SMILESCOCC(CCl)NCCC(C)(C)C
InChIInChI=1S/C10H22ClNO/c1-10(2,3)5-6-12-9(7-11)8-13-4/h9,12H,5-8H2,1-4H3
InChIKeyYEODSEGBLSKTAB-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.27
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

N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
CID 106180457
1-chloro-3-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 106180567
1-chloro-3-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 106180697
4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
CID 106152372
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine
CID 106180448
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylbutanamide
CID 106182300
2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol
CID 106187247
3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
CID 161005909
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782
4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine (CID 106180770) is N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine is COCC(CCl)NCCC(C)(C)C.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
The InChIKey is YEODSEGBLSKTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-10(2,3)5-6-12-9(7-11)8-13-4/h9,12H,5-8H2,1-4H3.
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine?
N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine has a molecular weight of 207.74 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 106180770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).