N-pent-4-ynyloxan-4-amine

C10H17NO — CID 115656501

IUPACN-pent-4-ynyloxan-4-amine
SMILESC#CCCCNC1CCOCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-7-11-10-5-8-12-9-6-10/h1,10-11H,3-9H2
InChIKeyOUFBXSIUOCJASN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.17
Rot. Bonds4

About N-pent-4-ynyloxan-4-amine

N-pent-4-ynyloxan-4-amine (PubChem CID 115656501) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-pent-4-ynyloxan-4-amine.

Molecular Properties

Compound NameN-pent-4-ynyloxan-4-amine
PubChem CID115656501
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-pent-4-ynyloxan-4-amine
SMILESC#CCCCNC1CCOCC1
InChIInChI=1S/C10H17NO/c1-2-3-4-7-11-10-5-8-12-9-6-10/h1,10-11H,3-9H2
InChIKeyOUFBXSIUOCJASN-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-3-ynyloxan-4-amine
CID 63655853
N-pent-4-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 104924934
1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793
4-(hept-6-ynylamino)cyclohexan-1-ol
CID 168832781
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
N-(2-fluoroethyl)oxan-4-amine
CID 80694353
N-propyloxan-4-amine
CID 18348908
1-N-pent-4-ynylcyclohexane-1,3-diamine
CID 106220280
3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyloxan-4-amine?
The IUPAC name of N-pent-4-ynyloxan-4-amine (CID 115656501) is N-pent-4-ynyloxan-4-amine.
What is the SMILES notation for N-pent-4-ynyloxan-4-amine?
The canonical SMILES for N-pent-4-ynyloxan-4-amine is C#CCCCNC1CCOCC1.
What is the InChIKey of N-pent-4-ynyloxan-4-amine?
The InChIKey is OUFBXSIUOCJASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-7-11-10-5-8-12-9-6-10/h1,10-11H,3-9H2.
What are the key properties of N-pent-4-ynyloxan-4-amine?
N-pent-4-ynyloxan-4-amine has a molecular weight of 167.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyloxan-4-amine is sourced from PubChem (CID 115656501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).