N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine

C13H27NO — CID 106457015

IUPACN-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)COCCC1(CNC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-11(2)9-15-8-7-13(5-6-13)10-14-12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyLCJSUDNOYNXZGG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds8

About N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 106457015) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
PubChem CID106457015
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)COCCC1(CNC(C)C)CC1
InChIInChI=1S/C13H27NO/c1-11(2)9-15-8-7-13(5-6-13)10-14-12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyLCJSUDNOYNXZGG-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
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-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456986
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830
N-[[1-(2-propoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 106456993
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine (CID 106457015) is N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine is CC(C)COCCC1(CNC(C)C)CC1.
What is the InChIKey of N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is LCJSUDNOYNXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-15-8-7-13(5-6-13)10-14-12(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpropoxy)ethyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 106457015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).