N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine

C18H35NO — CID 177134759

IUPACN,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine
SMILESCC(C)C#CCOC(C)CCN(C)C(C)CCC(C)C
InChIInChI=1S/C18H35NO/c1-15(2)9-8-14-20-18(6)12-13-19(7)17(5)11-10-16(3)4/h15-18H,10-14H2,1-7H3
InChIKeyLYFSBPUZIMPFQW-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.20
Rot. Bonds9

About N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine

N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine (PubChem CID 177134759) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine
PubChem CID177134759
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine
SMILESCC(C)C#CCOC(C)CCN(C)C(C)CCC(C)C
InChIInChI=1S/C18H35NO/c1-15(2)9-8-14-20-18(6)12-13-19(7)17(5)11-10-16(3)4/h15-18H,10-14H2,1-7H3
InChIKeyLYFSBPUZIMPFQW-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-2,6,9-trimethyldec-3-yne
CID 159280612
(1S)-6-methyl-1-(methyldisulfanyl)-1-(4-methylpent-2-ynoxy)heptane
CID 159683090
4-methyl-1-propan-2-yloxypent-2-yne;2-methyl-1-propan-2-yloxypropane;4-methyl-N-propan-2-ylpent-2-yn-1-amine
CID 159921747
(2S)-N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 148926186
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine
CID 166118187
3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
CID 61425759
ethane;N,N,5-trimethylhexan-2-amine
CID 144654908
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
1-N-ethyl-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 62461668
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
2-N-methyl-2-N-(3-methylbutyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 62462550

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine?
The IUPAC name of N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine (CID 177134759) is N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine?
The canonical SMILES for N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine is CC(C)C#CCOC(C)CCN(C)C(C)CCC(C)C.
What is the InChIKey of N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine?
The InChIKey is LYFSBPUZIMPFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-15(2)9-8-14-20-18(6)12-13-19(7)17(5)11-10-16(3)4/h15-18H,10-14H2,1-7H3.
What are the key properties of N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine?
N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[3-(4-methylpent-2-ynoxy)butyl]hexan-2-amine is sourced from PubChem (CID 177134759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).