N-butyl-1-iodo-N-methylpiperidin-4-amine

C10H21IN2 — CID 155472460

IUPACN-butyl-1-iodo-N-methylpiperidin-4-amine
SMILESCCCCN(C)C1CCN(I)CC1
InChIInChI=1S/C10H21IN2/c1-3-4-7-12(2)10-5-8-13(11)9-6-10/h10H,3-9H2,1-2H3
InChIKeyNJXMOYTWLANURI-UHFFFAOYSA-N
MW296.20 g/mol
LogP2.53
Rot. Bonds4

About N-butyl-1-iodo-N-methylpiperidin-4-amine

N-butyl-1-iodo-N-methylpiperidin-4-amine (PubChem CID 155472460) has the molecular formula C10H21IN2 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-butyl-1-iodo-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-1-iodo-N-methylpiperidin-4-amine
PubChem CID155472460
Molecular FormulaC10H21IN2
Molecular Weight296.20 g/mol
Exact Mass296.07
IUPAC NameN-butyl-1-iodo-N-methylpiperidin-4-amine
SMILESCCCCN(C)C1CCN(I)CC1
InChIInChI=1S/C10H21IN2/c1-3-4-7-12(2)10-5-8-13(11)9-6-10/h10H,3-9H2,1-2H3
InChIKeyNJXMOYTWLANURI-UHFFFAOYSA-N
XLogP2.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
1-(2-aminoethyl)-N-butyl-N-methylpiperidin-4-amine
CID 117038230
N-methyl-N-pentylcyclobutanamine
CID 142562644
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
CID 169213903
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-iodo-N-methylpiperidin-4-amine?
The IUPAC name of N-butyl-1-iodo-N-methylpiperidin-4-amine (CID 155472460) is N-butyl-1-iodo-N-methylpiperidin-4-amine.
What is the SMILES notation for N-butyl-1-iodo-N-methylpiperidin-4-amine?
The canonical SMILES for N-butyl-1-iodo-N-methylpiperidin-4-amine is CCCCN(C)C1CCN(I)CC1.
What is the InChIKey of N-butyl-1-iodo-N-methylpiperidin-4-amine?
The InChIKey is NJXMOYTWLANURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IN2/c1-3-4-7-12(2)10-5-8-13(11)9-6-10/h10H,3-9H2,1-2H3.
What are the key properties of N-butyl-1-iodo-N-methylpiperidin-4-amine?
N-butyl-1-iodo-N-methylpiperidin-4-amine has a molecular weight of 296.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-iodo-N-methylpiperidin-4-amine is sourced from PubChem (CID 155472460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).