N-tert-butyl-4-piperidin-1-ylpentan-1-amine

C14H30N2 — CID 55137410

IUPACN-tert-butyl-4-piperidin-1-ylpentan-1-amine
SMILESCC(CCCNC(C)(C)C)N1CCCCC1
InChIInChI=1S/C14H30N2/c1-13(16-11-6-5-7-12-16)9-8-10-15-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyBZUKESUYHSUNBI-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About N-tert-butyl-4-piperidin-1-ylpentan-1-amine

N-tert-butyl-4-piperidin-1-ylpentan-1-amine (PubChem CID 55137410) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-4-piperidin-1-ylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-piperidin-1-ylpentan-1-amine
PubChem CID55137410
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-4-piperidin-1-ylpentan-1-amine
SMILESCC(CCCNC(C)(C)C)N1CCCCC1
InChIInChI=1S/C14H30N2/c1-13(16-11-6-5-7-12-16)9-8-10-15-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyBZUKESUYHSUNBI-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
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

4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
N-tert-butyl-4-(4-ethylpiperidin-1-yl)pentan-1-amine
CID 62413264
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
CID 103539948
N-tert-butyl-4-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238304
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
4-(4-tert-butylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62463195
N-tert-butyl-4-(3-propylpyrrolidin-1-yl)pentan-1-amine
CID 113419069
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
N-tert-butyl-4-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061621
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-piperidin-1-ylpentan-1-amine?
The IUPAC name of N-tert-butyl-4-piperidin-1-ylpentan-1-amine (CID 55137410) is N-tert-butyl-4-piperidin-1-ylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-piperidin-1-ylpentan-1-amine?
The canonical SMILES for N-tert-butyl-4-piperidin-1-ylpentan-1-amine is CC(CCCNC(C)(C)C)N1CCCCC1.
What is the InChIKey of N-tert-butyl-4-piperidin-1-ylpentan-1-amine?
The InChIKey is BZUKESUYHSUNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(16-11-6-5-7-12-16)9-8-10-15-14(2,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-piperidin-1-ylpentan-1-amine?
N-tert-butyl-4-piperidin-1-ylpentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-piperidin-1-ylpentan-1-amine is sourced from PubChem (CID 55137410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).