N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

C16H27N3O — CID 124750632

IUPACN-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCc1ccn(CCN(CC2CCC2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C16H27N3O/c1-14-7-8-19(17-14)10-9-18(12-15-4-2-5-15)13-16-6-3-11-20-16/h7-8,15-16H,2-6,9-13H2,1H3/t16-/m0/s1
InChIKeyDNMGLWIZBREEGS-INIZCTEOSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds7

About N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 124750632) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID124750632
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCc1ccn(CCN(CC2CCC2)C[C@@H]2CCCO2)n1
InChIInChI=1S/C16H27N3O/c1-14-7-8-19(17-14)10-9-18(12-15-4-2-5-15)13-16-6-3-11-20-16/h7-8,15-16H,2-6,9-13H2,1H3/t16-/m0/s1
InChIKeyDNMGLWIZBREEGS-INIZCTEOSA-N
XLogP2.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methylpyrazol-1-yl)propyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51389873
1-cyclopropyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 46986198
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 134707313
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
N-[[1-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62429644
N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-(3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56854668
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389
2-[3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]phenyl]-4-methyl-1H-pyrimidin-6-one
CID 135987055
2-[2-(3-methylpyrazol-1-yl)ethyl]cyclopentan-1-ol
CID 79563587
N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
CID 97285148

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 124750632) is N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is Cc1ccn(CCN(CC2CCC2)C[C@@H]2CCCO2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is DNMGLWIZBREEGS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-7-8-19(17-14)10-9-18(12-15-4-2-5-15)13-16-6-3-11-20-16/h7-8,15-16H,2-6,9-13H2,1H3/t16-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 124750632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).