N-[4-(2-methylpropoxy)butyl]cyclopropanamine

C11H23NO — CID 62445498

IUPACN-[4-(2-methylpropoxy)butyl]cyclopropanamine
SMILESCC(C)COCCCCNC1CC1
InChIInChI=1S/C11H23NO/c1-10(2)9-13-8-4-3-7-12-11-5-6-11/h10-12H,3-9H2,1-2H3
InChIKeyOHXMQQHFTNUZEC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds8

About N-[4-(2-methylpropoxy)butyl]cyclopropanamine

N-[4-(2-methylpropoxy)butyl]cyclopropanamine (PubChem CID 62445498) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[4-(2-methylpropoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-methylpropoxy)butyl]cyclopropanamine
PubChem CID62445498
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[4-(2-methylpropoxy)butyl]cyclopropanamine
SMILESCC(C)COCCCCNC1CC1
InChIInChI=1S/C11H23NO/c1-10(2)9-13-8-4-3-7-12-11-5-6-11/h10-12H,3-9H2,1-2H3
InChIKeyOHXMQQHFTNUZEC-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
3-ethoxy-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 112553021
3,3,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]cyclohexan-1-amine
CID 112681903
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropoxy)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2-methylpropoxy)butyl]cyclopropanamine (CID 62445498) is N-[4-(2-methylpropoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-methylpropoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-methylpropoxy)butyl]cyclopropanamine is CC(C)COCCCCNC1CC1.
What is the InChIKey of N-[4-(2-methylpropoxy)butyl]cyclopropanamine?
The InChIKey is OHXMQQHFTNUZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)9-13-8-4-3-7-12-11-5-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[4-(2-methylpropoxy)butyl]cyclopropanamine?
N-[4-(2-methylpropoxy)butyl]cyclopropanamine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62445498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).