N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine

C10H18F3NO — CID 82959515

IUPACN-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
SMILESFC(F)(F)CCOCCCCNC1CC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-8-15-7-2-1-6-14-9-3-4-9/h9,14H,1-8H2
InChIKeyMVSSLYHRLSYMEJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds8

About N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine

N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine (PubChem CID 82959515) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
PubChem CID82959515
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
SMILESFC(F)(F)CCOCCCCNC1CC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-8-15-7-2-1-6-14-9-3-4-9/h9,14H,1-8H2
InChIKeyMVSSLYHRLSYMEJ-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
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-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-cyclopropyl-N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002465
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
CID 66274668
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine (CID 82959515) is N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine is FC(F)(F)CCOCCCCNC1CC1.
What is the InChIKey of N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine?
The InChIKey is MVSSLYHRLSYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-8-15-7-2-1-6-14-9-3-4-9/h9,14H,1-8H2.
What are the key properties of N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine?
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine is sourced from PubChem (CID 82959515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).