N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine

C10H21IN2 — CID 178102077

IUPACN-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
SMILESCC(C)N1CCC(CN(C)I)CC1
InChIInChI=1S/C10H21IN2/c1-9(2)13-6-4-10(5-7-13)8-12(3)11/h9-10H,4-8H2,1-3H3
InChIKeyRVSJOGUJVUUJNT-UHFFFAOYSA-N
MW296.20 g/mol
LogP2.39
Rot. Bonds3

About N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine

N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine (PubChem CID 178102077) has the molecular formula C10H21IN2 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
PubChem CID178102077
Molecular FormulaC10H21IN2
Molecular Weight296.20 g/mol
Exact Mass296.07
IUPAC NameN-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
SMILESCC(C)N1CCC(CN(C)I)CC1
InChIInChI=1S/C10H21IN2/c1-9(2)13-6-4-10(5-7-13)8-12(3)11/h9-10H,4-8H2,1-3H3
InChIKeyRVSJOGUJVUUJNT-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 52.39
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

ethane;N-methyl-N,1-bis[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-amine
CID 155702576
2-fluoro-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]ethanamine
CID 168724519
N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
N-methyl-N-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 170195980
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
[methyl-[3-(1-propan-2-ylpiperidin-4-yl)propyl]amino]methanethiol
CID 170057835
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
O-[3-[ethyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]cyclobutyl]hydroxylamine
CID 146640693
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
The IUPAC name of N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine (CID 178102077) is N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
The canonical SMILES for N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine is CC(C)N1CCC(CN(C)I)CC1.
What is the InChIKey of N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
The InChIKey is RVSJOGUJVUUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IN2/c1-9(2)13-6-4-10(5-7-13)8-12(3)11/h9-10H,4-8H2,1-3H3.
What are the key properties of N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine?
N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine has a molecular weight of 296.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine is sourced from PubChem (CID 178102077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).