3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine

C8H16ClNO — CID 106437994

IUPAC3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine
SMILESCC(=CCl)CNOCC(C)C
InChIInChI=1S/C8H16ClNO/c1-7(2)6-11-10-5-8(3)4-9/h4,7,10H,5-6H2,1-3H3
InChIKeyUTBARPCOHNEKHI-UHFFFAOYSA-N
MW177.67 g/mol
LogP2.31
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine

3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine (PubChem CID 106437994) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine
PubChem CID106437994
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine
SMILESCC(=CCl)CNOCC(C)C
InChIInChI=1S/C8H16ClNO/c1-7(2)6-11-10-5-8(3)4-9/h4,7,10H,5-6H2,1-3H3
InChIKeyUTBARPCOHNEKHI-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(2-methylpropoxyamino)acetamide
CID 82714959
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
N-(1-bromopropan-2-yl)-3-chloro-2-methylprop-2-en-1-amine
CID 106440126
3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 106438286
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutan-1-ol
CID 106438226
4-[(3-chloro-2-methylprop-2-enyl)amino]pentan-1-ol
CID 106437903
N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
CID 106437796
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutanoic acid
CID 106439197
N-(2-methylpropoxy)hept-6-en-1-amine
CID 107007042
2-(2-methylpropoxyamino)-1-morpholin-4-ylethanone
CID 82715515

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine (CID 106437994) is 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine is CC(=CCl)CNOCC(C)C.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine?
The InChIKey is UTBARPCOHNEKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(2)6-11-10-5-8(3)4-9/h4,7,10H,5-6H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine?
3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine has a molecular weight of 177.67 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine is sourced from PubChem (CID 106437994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).