N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

C16H34N2O — CID 81074698

IUPACN-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CCOC(C)C)CCCC1
InChIInChI=1S/C16H34N2O/c1-5-10-17-13-16(8-6-7-9-16)14-18(4)11-12-19-15(2)3/h15,17H,5-14H2,1-4H3
InChIKeyFBBNMQTUKDCRIW-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds10

About N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 81074698) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID81074698
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CCOC(C)C)CCCC1
InChIInChI=1S/C16H34N2O/c1-5-10-17-13-16(8-6-7-9-16)14-18(4)11-12-19-15(2)3/h15,17H,5-14H2,1-4H3
InChIKeyFBBNMQTUKDCRIW-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (CID 81074698) is N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1(CN(C)CCOC(C)C)CCCC1.
What is the InChIKey of N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is FBBNMQTUKDCRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-10-17-13-16(8-6-7-9-16)14-18(4)11-12-19-15(2)3/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81074698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).