N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C17H32N2O — CID 43770798

IUPACN-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCOCC2CC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)6-10-19-11-7-17(8-12-19)18-9-3-13-20-14-16-4-5-16/h6,16-18H,3-5,7-14H2,1-2H3
InChIKeyPAXDYGNRAVBZLX-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.82
Rot. Bonds9

About N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43770798) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43770798
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCCOCC2CC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)6-10-19-11-7-17(8-12-19)18-9-3-13-20-14-16-4-5-16/h6,16-18H,3-5,7-14H2,1-2H3
InChIKeyPAXDYGNRAVBZLX-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121
N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770913
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43771254
1-(3-methylbut-2-enyl)-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 43771390
1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
CID 43778538
1-(3-methylbut-2-enyl)-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54932188
N-(2-butoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61170311
N-(4-methoxybutyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61815165
1-(3-methylbut-2-enyl)-N-[2-(3-methylbutoxy)ethyl]piperidin-4-amine
CID 61882480
N-(3-methoxy-2-methylpropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61979353

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43770798) is N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NCCCOCC2CC2)CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is PAXDYGNRAVBZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2)6-10-19-11-7-17(8-12-19)18-9-3-13-20-14-16-4-5-16/h6,16-18H,3-5,7-14H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43770798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).