N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine

C15H31NO — CID 105008553

IUPACN-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H31NO/c1-7-9-16-12(11-17-10-8-2)13-14(3,4)15(13,5)6/h12-13,16H,7-11H2,1-6H3
InChIKeyUKZGWZAHAWTCJQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds8

About N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine

N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine (PubChem CID 105008553) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
PubChem CID105008553
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(COCCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H31NO/c1-7-9-16-12(11-17-10-8-2)13-14(3,4)15(13,5)6/h12-13,16H,7-11H2,1-6H3
InChIKeyUKZGWZAHAWTCJQ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine (CID 105008553) is N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine is CCCNC(COCCC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is UKZGWZAHAWTCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-9-16-12(11-17-10-8-2)13-14(3,4)15(13,5)6/h12-13,16H,7-11H2,1-6H3.
What are the key properties of N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine?
N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-propoxy-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 105008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).