molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine

C8H22N2 — CID 164555639

IUPACmolecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N[C@H]1CCCNC1.[H][H].[H][H]
InChIInChI=1S/C8H18N2.2H2/c1-7(2)10-8-4-3-5-9-6-8;;/h7-10H,3-6H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyPEVBTAJOOOIDKM-JZGIKJSDSA-N
MW146.28 g/mol
LogP1.23
Rot. Bonds2

About molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine

molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine (PubChem CID 164555639) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Namemolecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
PubChem CID164555639
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Namemolecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)N[C@H]1CCCNC1.[H][H].[H][H]
InChIInChI=1S/C8H18N2.2H2/c1-7(2)10-8-4-3-5-9-6-8;;/h7-10H,3-6H2,1-2H3;2*1H/t8-;;/m0../s1
InChIKeyPEVBTAJOOOIDKM-JZGIKJSDSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
(2S)-2-(piperidin-3-ylamino)butan-1-ol
CID 104980396
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
N-pent-1-yn-3-ylpiperidin-3-amine
CID 106225565
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637623
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540
N-ethylpiperidin-3-amine
CID 21278340
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
(3R)-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-amine
CID 97162191

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine (CID 164555639) is molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine is CC(C)N[C@H]1CCCNC1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine?
The InChIKey is PEVBTAJOOOIDKM-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H18N2.2H2/c1-7(2)10-8-4-3-5-9-6-8;;/h7-10H,3-6H2,1-2H3;2*1H/t8-;;/m0../s1.
What are the key properties of molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine?
molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine has a molecular weight of 146.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 164555639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).