N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine

C13H28N2 — CID 103497352

IUPACN-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
SMILESCNCCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-12(2)13-6-10-15(11-7-13)9-5-4-8-14-3/h12-14H,4-11H2,1-3H3
InChIKeyWTIKDMFMJNMLCQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine

N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine (PubChem CID 103497352) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
PubChem CID103497352
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
SMILESCNCCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C13H28N2/c1-12(2)13-6-10-15(11-7-13)9-5-4-8-14-3/h12-14H,4-11H2,1-3H3
InChIKeyWTIKDMFMJNMLCQ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine
CID 79678218
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide
CID 59542595

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine (CID 103497352) is N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine is CNCCCCN1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
The InChIKey is WTIKDMFMJNMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)13-6-10-15(11-7-13)9-5-4-8-14-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine?
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 103497352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).