N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine

C14H29FN2 — CID 137469562

IUPACN'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
SMILESC=C(CNCCCCCN)CC(CC)C(C)F
InChIInChI=1S/C14H29FN2/c1-4-14(13(3)15)10-12(2)11-17-9-7-5-6-8-16/h13-14,17H,2,4-11,16H2,1,3H3
InChIKeyINUYXVDXKSRGEH-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.04
Rot. Bonds11

About N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine

N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine (PubChem CID 137469562) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
PubChem CID137469562
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC NameN'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
SMILESC=C(CNCCCCCN)CC(CC)C(C)F
InChIInChI=1S/C14H29FN2/c1-4-14(13(3)15)10-12(2)11-17-9-7-5-6-8-16/h13-14,17H,2,4-11,16H2,1,3H3
InChIKeyINUYXVDXKSRGEH-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
7-methyl-N-(2-methylprop-2-enyl)nonan-1-amine
CID 175620901
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-butyloctadecane-1,18-diamine
CID 19427141
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
3-ethyl-2-fluoropentane
CID 144624740
N'-methyl-N-(2-methylidenebutyl)-N'-propan-2-ylbutane-1,4-diamine
CID 66047604
N'-[5-(2-aminoethylamino)pentyl]pentane-1,5-diamine;N'-(2-aminoethyl)pentane-1,5-diamine;N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)octane-1,8-diamine;butane-1,4-diamine;ethanamine;ethane-1,2-diamine;hexane-1,6-diamine;octane-1,8-diamine;bis(pentane-1,5-diamine);propane-1,3-diamine
CID 165066014
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine?
The IUPAC name of N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine (CID 137469562) is N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine?
The canonical SMILES for N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine is C=C(CNCCCCCN)CC(CC)C(C)F.
What is the InChIKey of N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine?
The InChIKey is INUYXVDXKSRGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-4-14(13(3)15)10-12(2)11-17-9-7-5-6-8-16/h13-14,17H,2,4-11,16H2,1,3H3.
What are the key properties of N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine?
N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine has a molecular weight of 244.40 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine is sourced from PubChem (CID 137469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).