N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine

C15H30N2S — CID 62259536

IUPACN-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCCSCC1
InChIInChI=1S/C15H30N2S/c1-3-7-15(2,12-16-14-5-6-14)13-17-8-4-10-18-11-9-17/h14,16H,3-13H2,1-2H3
InChIKeyYNMTZKFCWLRDOK-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds7

About N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine

N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine (PubChem CID 62259536) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
PubChem CID62259536
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCCSCC1
InChIInChI=1S/C15H30N2S/c1-3-7-15(2,12-16-14-5-6-14)13-17-8-4-10-18-11-9-17/h14,16H,3-13H2,1-2H3
InChIKeyYNMTZKFCWLRDOK-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
CID 113418855
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
CID 62262511
N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine
CID 102728269
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 82751638
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452
2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine
CID 61419807
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine (CID 62259536) is N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine is CCCC(C)(CNC1CC1)CN1CCCSCC1.
What is the InChIKey of N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine?
The InChIKey is YNMTZKFCWLRDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-7-15(2,12-16-14-5-6-14)13-17-8-4-10-18-11-9-17/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine?
N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine is sourced from PubChem (CID 62259536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).