N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine

C10H17NO — CID 104807224

IUPACN-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCC1(C)COC1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-11-7-10(2)8-12-9-10/h11H,5-9H2,1-2H3
InChIKeyZGWUBHPAHBFHAS-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.03
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine

N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine (PubChem CID 104807224) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine
PubChem CID104807224
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine
SMILESCC#CCCNCC1(C)COC1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-11-7-10(2)8-12-9-10/h11H,5-9H2,1-2H3
InChIKeyZGWUBHPAHBFHAS-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
CID 134447413
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
5-[(3-methyloxetan-3-yl)methylamino]pentanamide
CID 106233481
2-methyl-5-[(3-methyloxetan-3-yl)methylamino]pentan-1-ol
CID 106157430
2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 103179188
N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106425300
3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115666768
N-but-3-ynylpent-3-yn-1-amine
CID 104806965
3-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004009
2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
CID 104806676

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine (CID 104807224) is N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine is CC#CCCNCC1(C)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine?
The InChIKey is ZGWUBHPAHBFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-11-7-10(2)8-12-9-10/h11H,5-9H2,1-2H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine?
N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine is sourced from PubChem (CID 104807224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).