N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine

C16H33N3 — CID 63008881

IUPACN-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
SMILESCCCCNCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-2-3-8-17-9-14-18-12-6-16(7-13-18)15-19-10-4-5-11-19/h16-17H,2-15H2,1H3
InChIKeySDIOEXJSPJDFME-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds8

About N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine

N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine (PubChem CID 63008881) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
PubChem CID63008881
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
SMILESCCCCNCCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-2-3-8-17-9-14-18-12-6-16(7-13-18)15-19-10-4-5-11-19/h16-17H,2-15H2,1H3
InChIKeySDIOEXJSPJDFME-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-[2-(1,4-thiazepan-4-yl)ethyl]butan-1-amine
CID 62557597
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine?
The IUPAC name of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine (CID 63008881) is N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine.
What is the SMILES notation for N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine?
The canonical SMILES for N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine is CCCCNCCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine?
The InChIKey is SDIOEXJSPJDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-2-3-8-17-9-14-18-12-6-16(7-13-18)15-19-10-4-5-11-19/h16-17H,2-15H2,1H3.
What are the key properties of N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine?
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine is sourced from PubChem (CID 63008881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).