N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine

C15H30N2O — CID 81045958

IUPACN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCNCC1(C)CCCO1)C1CCCNC1
InChIInChI=1S/C15H30N2O/c1-13(14-5-3-8-16-11-14)6-9-17-12-15(2)7-4-10-18-15/h13-14,16-17H,3-12H2,1-2H3
InChIKeyBFLFKUSUECTPRN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds6

About N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine (PubChem CID 81045958) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
PubChem CID81045958
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
SMILESCC(CCNCC1(C)CCCO1)C1CCCNC1
InChIInChI=1S/C15H30N2O/c1-13(14-5-3-8-16-11-14)6-9-17-12-15(2)7-4-10-18-15/h13-14,16-17H,3-12H2,1-2H3
InChIKeyBFLFKUSUECTPRN-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782234
N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81043624
3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
CID 102913685
2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
CID 116678448
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropan-1-amine
CID 83198491
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 81044233
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83031072
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine (CID 81045958) is N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine is CC(CCNCC1(C)CCCO1)C1CCCNC1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
The InChIKey is BFLFKUSUECTPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(14-5-3-8-16-11-14)6-9-17-12-15(2)7-4-10-18-15/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine?
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 81045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).