O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine

C15H31N3O — CID 146640693

IUPACO-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine
SMILESCCN(CC1CCN(C(C)C)CC1)C1CC(ON)C1
InChIInChI=1S/C15H31N3O/c1-4-17(14-9-15(10-14)19-16)11-13-5-7-18(8-6-13)12(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeyNTEAYXLBUDZMMI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.85
Rot. Bonds6

About O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine

O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine (PubChem CID 146640693) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine
PubChem CID146640693
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameO-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine
SMILESCCN(CC1CCN(C(C)C)CC1)C1CC(ON)C1
InChIInChI=1S/C15H31N3O/c1-4-17(14-9-15(10-14)19-16)11-13-5-7-18(8-6-13)12(2)3/h12-15H,4-11,16H2,1-3H3
InChIKeyNTEAYXLBUDZMMI-UHFFFAOYSA-N
XLogP1.85
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
CID 178102077
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclobutanamine
CID 171564907
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
2-[cyclopropylmethyl-(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65076862
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
4-octyl-1-propan-2-ylpiperidine
CID 167231286
ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
CID 155702576
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206

Frequently Asked Questions

What is the IUPAC name of O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine?
The IUPAC name of O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine (CID 146640693) is O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine.
What is the SMILES notation for O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine?
The canonical SMILES for O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine is CCN(CC1CCN(C(C)C)CC1)C1CC(ON)C1.
What is the InChIKey of O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine?
The InChIKey is NTEAYXLBUDZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-17(14-9-15(10-14)19-16)11-13-5-7-18(8-6-13)12(2)3/h12-15H,4-11,16H2,1-3H3.
What are the key properties of O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine?
O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine has a molecular weight of 269.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine is sourced from PubChem (CID 146640693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).