N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine

C13H26N2O — CID 104960941

IUPACN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
SMILESC[C@@H]1CN(CCCCNC2CC2)C[C@H](C)O1
InChIInChI=1S/C13H26N2O/c1-11-9-15(10-12(2)16-11)8-4-3-7-14-13-5-6-13/h11-14H,3-10H2,1-2H3/t11-,12+
InChIKeySBYCUDSKJKLXMJ-TXEJJXNPSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine (PubChem CID 104960941) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
PubChem CID104960941
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
SMILESC[C@@H]1CN(CCCCNC2CC2)C[C@H](C)O1
InChIInChI=1S/C13H26N2O/c1-11-9-15(10-12(2)16-11)8-4-3-7-14-13-5-6-13/h11-14H,3-10H2,1-2H3/t11-,12+
InChIKeySBYCUDSKJKLXMJ-TXEJJXNPSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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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Related Compounds

N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
CID 114540197
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
CID 55024032
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]ethanesulfonamide
CID 97058705
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
CID 9248889
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylhexanoic acid
CID 104960225
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine (CID 104960941) is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine is C[C@@H]1CN(CCCCNC2CC2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine?
The InChIKey is SBYCUDSKJKLXMJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-15(10-12(2)16-11)8-4-3-7-14-13-5-6-13/h11-14H,3-10H2,1-2H3/t11-,12+.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine?
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine is sourced from PubChem (CID 104960941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).