N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine

C9H18N2 — CID 94428822

IUPACN-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine
SMILESC[C@H]1C[C@@H]1NC1CCNCC1
InChIInChI=1S/C9H18N2/c1-7-6-9(7)11-8-2-4-10-5-3-8/h7-11H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyMJPATPIGSVPUIN-CBAPKCEASA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds2

About N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine

N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine (PubChem CID 94428822) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine
PubChem CID94428822
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine
SMILESC[C@H]1C[C@@H]1NC1CCNCC1
InChIInChI=1S/C9H18N2/c1-7-6-9(7)11-8-2-4-10-5-3-8/h7-11H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyMJPATPIGSVPUIN-CBAPKCEASA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine?
The IUPAC name of N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine (CID 94428822) is N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine?
The canonical SMILES for N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine is C[C@H]1C[C@@H]1NC1CCNCC1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine?
The InChIKey is MJPATPIGSVPUIN-CBAPKCEASA-N. The full InChI is InChI=1S/C9H18N2/c1-7-6-9(7)11-8-2-4-10-5-3-8/h7-11H,2-6H2,1H3/t7-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine?
N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 94428822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).