N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine

C14H29NO — CID 66233363

IUPACN-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
SMILESCCCNC(COCCC(C)(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-5-9-15-13(12-6-7-12)11-16-10-8-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyXFRJBNXQKWXJAH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine (PubChem CID 66233363) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
PubChem CID66233363
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine
SMILESCCCNC(COCCC(C)(C)C)C1CC1
InChIInChI=1S/C14H29NO/c1-5-9-15-13(12-6-7-12)11-16-10-8-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyXFRJBNXQKWXJAH-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757
N-[1-cyclopentyl-2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 104749456
N-[1-cyclohexyl-2-(2-cyclopropylethoxy)ethyl]propan-1-amine
CID 114157400
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
1-(3,3-dimethylbutoxy)-N-propylpropan-2-amine
CID 66232455
1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine
CID 104749574
N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
CID 115716677
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
N-[2-(cyclohexylmethoxy)-1-cyclopropylethyl]propan-1-amine
CID 63906067
3-(3,3-dimethylbutoxy)-2-(propylamino)propan-1-ol
CID 66227333
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine (CID 66233363) is N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine is CCCNC(COCCC(C)(C)C)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine?
The InChIKey is XFRJBNXQKWXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-15-13(12-6-7-12)11-16-10-8-14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3,3-dimethylbutoxy)ethyl]propan-1-amine is sourced from PubChem (CID 66233363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).