N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine

C18H31N3O — CID 59549646

IUPACN'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine
SMILESCC(C)[C@@H]1CN(c2ccc(NCCCCCN)cc2)CCO1
InChIInChI=1S/C18H31N3O/c1-15(2)18-14-21(12-13-22-18)17-8-6-16(7-9-17)20-11-5-3-4-10-19/h6-9,15,18,20H,3-5,10-14,19H2,1-2H3/t18-/m0/s1
InChIKeyAQWXNBHOSNFQCP-SFHVURJKSA-N
MW305.47 g/mol
LogP3.09
Rot. Bonds8

About N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine

N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine (PubChem CID 59549646) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine
PubChem CID59549646
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine
SMILESCC(C)[C@@H]1CN(c2ccc(NCCCCCN)cc2)CCO1
InChIInChI=1S/C18H31N3O/c1-15(2)18-14-21(12-13-22-18)17-8-6-16(7-9-17)20-11-5-3-4-10-19/h6-9,15,18,20H,3-5,10-14,19H2,1-2H3/t18-/m0/s1
InChIKeyAQWXNBHOSNFQCP-SFHVURJKSA-N
XLogP3.09
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine?
The IUPAC name of N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine (CID 59549646) is N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine.
What is the SMILES notation for N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine?
The canonical SMILES for N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine is CC(C)[C@@H]1CN(c2ccc(NCCCCCN)cc2)CCO1.
What is the InChIKey of N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine?
The InChIKey is AQWXNBHOSNFQCP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H31N3O/c1-15(2)18-14-21(12-13-22-18)17-8-6-16(7-9-17)20-11-5-3-4-10-19/h6-9,15,18,20H,3-5,10-14,19H2,1-2H3/t18-/m0/s1.
What are the key properties of N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine?
N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine has a molecular weight of 305.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine is sourced from PubChem (CID 59549646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).