N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane

C18H40N2O — CID 163401529

IUPACN-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane
SMILESCC.CCCN1CCOC(CCCCCNC(C)CC)C1
InChIInChI=1S/C16H34N2O.C2H6/c1-4-11-18-12-13-19-16(14-18)9-7-6-8-10-17-15(3)5-2;1-2/h15-17H,4-14H2,1-3H3;1-2H3
InChIKeyIZRVTVCGTXTUNH-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.07
Rot. Bonds10

About N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane

N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane (PubChem CID 163401529) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane
PubChem CID163401529
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane
SMILESCC.CCCN1CCOC(CCCCCNC(C)CC)C1
InChIInChI=1S/C16H34N2O.C2H6/c1-4-11-18-12-13-19-16(14-18)9-7-6-8-10-17-15(3)5-2;1-2/h15-17H,4-14H2,1-3H3;1-2H3
InChIKeyIZRVTVCGTXTUNH-UHFFFAOYSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.07
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-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine
CID 163401530
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
(2S)-2-butyl-4-decylmorpholine
CID 98152093
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1-methoxypropan-2-amine
CID 62559859
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
4-dodecyl-2-ethylmorpholine
CID 4616518
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N-[2-(4-butylmorpholin-2-yl)ethyl]-N,2-dimethylbutan-1-amine
CID 170952081
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N-methyl-3-[[(2R)-4-propylmorpholin-2-yl]methoxy]propan-1-amine
CID 169214682

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane?
The IUPAC name of N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane (CID 163401529) is N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane.
What is the SMILES notation for N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane?
The canonical SMILES for N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane is CC.CCCN1CCOC(CCCCCNC(C)CC)C1.
What is the InChIKey of N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane?
The InChIKey is IZRVTVCGTXTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.C2H6/c1-4-11-18-12-13-19-16(14-18)9-7-6-8-10-17-15(3)5-2;1-2/h15-17H,4-14H2,1-3H3;1-2H3.
What are the key properties of N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane?
N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane has a molecular weight of 300.53 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-propylmorpholin-2-yl)pentan-1-amine;ethane is sourced from PubChem (CID 163401529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).