N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine

C15H30N2O — CID 83100271

IUPACN-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1CC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-13(2)16-10-15-12-18-9-8-17(15)11-14-6-4-3-5-7-14/h13-16H,3-12H2,1-2H3
InChIKeyDHLCJEBZHKGOTI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine

N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83100271) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine
PubChem CID83100271
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1CC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-13(2)16-10-15-12-18-9-8-17(15)11-14-6-4-3-5-7-14/h13-16H,3-12H2,1-2H3
InChIKeyDHLCJEBZHKGOTI-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine (CID 83100271) is N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1CC1CCCCC1.
What is the InChIKey of N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is DHLCJEBZHKGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)16-10-15-12-18-9-8-17(15)11-14-6-4-3-5-7-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine?
N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylmethyl)morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83100271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).