N-pent-1-yn-3-ylpiperidin-3-amine

C10H18N2 — CID 106225565

IUPACN-pent-1-yn-3-ylpiperidin-3-amine
SMILESC#CC(CC)NC1CCCNC1
InChIInChI=1S/C10H18N2/c1-3-9(4-2)12-10-6-5-7-11-8-10/h1,9-12H,4-8H2,2H3
InChIKeyYUSSSBVCMOFDTB-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.74
Rot. Bonds3

About N-pent-1-yn-3-ylpiperidin-3-amine

N-pent-1-yn-3-ylpiperidin-3-amine (PubChem CID 106225565) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-pent-1-yn-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-ylpiperidin-3-amine
PubChem CID106225565
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-pent-1-yn-3-ylpiperidin-3-amine
SMILESC#CC(CC)NC1CCCNC1
InChIInChI=1S/C10H18N2/c1-3-9(4-2)12-10-6-5-7-11-8-10/h1,9-12H,4-8H2,2H3
InChIKeyYUSSSBVCMOFDTB-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(piperidin-3-ylamino)butan-1-ol
CID 104980396
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
molecular hydrogen;(3S)-N-propan-2-ylpiperidin-3-amine
CID 164555639
N-ethylpiperidin-3-amine
CID 21278340
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
N-but-3-yn-2-ylazepan-4-amine
CID 114415499
2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 104980875
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106224436
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine
CID 114160675

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylpiperidin-3-amine?
The IUPAC name of N-pent-1-yn-3-ylpiperidin-3-amine (CID 106225565) is N-pent-1-yn-3-ylpiperidin-3-amine.
What is the SMILES notation for N-pent-1-yn-3-ylpiperidin-3-amine?
The canonical SMILES for N-pent-1-yn-3-ylpiperidin-3-amine is C#CC(CC)NC1CCCNC1.
What is the InChIKey of N-pent-1-yn-3-ylpiperidin-3-amine?
The InChIKey is YUSSSBVCMOFDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9(4-2)12-10-6-5-7-11-8-10/h1,9-12H,4-8H2,2H3.
What are the key properties of N-pent-1-yn-3-ylpiperidin-3-amine?
N-pent-1-yn-3-ylpiperidin-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylpiperidin-3-amine is sourced from PubChem (CID 106225565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).