N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine

C16H28N2S — CID 62435574

IUPACN'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
SMILESCC(C)NCCCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H28N2S/c1-14(2)17-9-4-3-5-10-18(16-6-7-16)12-15-8-11-19-13-15/h8,11,13-14,16-17H,3-7,9-10,12H2,1-2H3
InChIKeyHVSWSUGMZLFDSJ-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.88
Rot. Bonds10

About N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine

N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine (PubChem CID 62435574) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
PubChem CID62435574
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
SMILESCC(C)NCCCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C16H28N2S/c1-14(2)17-9-4-3-5-10-18(16-6-7-16)12-15-8-11-19-13-15/h8,11,13-14,16-17H,3-7,9-10,12H2,1-2H3
InChIKeyHVSWSUGMZLFDSJ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556384
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62553956
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine (CID 62435574) is N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine is CC(C)NCCCCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
The InChIKey is HVSWSUGMZLFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14(2)17-9-4-3-5-10-18(16-6-7-16)12-15-8-11-19-13-15/h8,11,13-14,16-17H,3-7,9-10,12H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine?
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 62435574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).