N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine

C14H29N3O2 — CID 168940446

IUPACN-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine
SMILESCC(C)NOC(NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-12(2)16-19-14(17-8-10-18-11-9-17)15-13-6-4-3-5-7-13/h12-16H,3-11H2,1-2H3
InChIKeyRVMXLVRZUJHIKO-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.45
Rot. Bonds6

About N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine

N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine (PubChem CID 168940446) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine
PubChem CID168940446
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine
SMILESCC(C)NOC(NC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-12(2)16-19-14(17-8-10-18-11-9-17)15-13-6-4-3-5-7-13/h12-16H,3-11H2,1-2H3
InChIKeyRVMXLVRZUJHIKO-UHFFFAOYSA-N
XLogP1.45
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine?
The IUPAC name of N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine (CID 168940446) is N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine.
What is the SMILES notation for N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine?
The canonical SMILES for N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine is CC(C)NOC(NC1CCCCC1)N1CCOCC1.
What is the InChIKey of N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine?
The InChIKey is RVMXLVRZUJHIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)16-19-14(17-8-10-18-11-9-17)15-13-6-4-3-5-7-13/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine?
N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine has a molecular weight of 271.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[morpholin-4-yl-(propan-2-ylamino)oxymethyl]cyclohexanamine is sourced from PubChem (CID 168940446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).