N-methyl-1-propan-2-yloxyhept-6-yn-2-amine

C11H21NO — CID 105179473

IUPACN-methyl-1-propan-2-yloxyhept-6-yn-2-amine
SMILESC#CCCCC(COC(C)C)NC
InChIInChI=1S/C11H21NO/c1-5-6-7-8-11(12-4)9-13-10(2)3/h1,10-12H,6-9H2,2-4H3
InChIKeyJXZKXQHMBHVBCX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds7

About N-methyl-1-propan-2-yloxyhept-6-yn-2-amine

N-methyl-1-propan-2-yloxyhept-6-yn-2-amine (PubChem CID 105179473) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-1-propan-2-yloxyhept-6-yn-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yloxyhept-6-yn-2-amine
PubChem CID105179473
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-1-propan-2-yloxyhept-6-yn-2-amine
SMILESC#CCCCC(COC(C)C)NC
InChIInChI=1S/C11H21NO/c1-5-6-7-8-11(12-4)9-13-10(2)3/h1,10-12H,6-9H2,2-4H3
InChIKeyJXZKXQHMBHVBCX-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Oxan-2-ylmethyl)(propan-2-yl)amine
CID 239652
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
CID 103216175
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
CID 103216179
N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-yn-2-amine
CID 103216181
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
CID 103475601
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
CID 103475829
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-amine
CID 103475953
2-ethoxy-N-methylcyclohexan-1-amine
CID 53276125
1-methoxy-N-methylhexan-2-amine
CID 62320369
trans-(1S,2S)-2-ethoxy-N-methylcyclohexan-1-amine
CID 69928997
N-methyl-1-propan-2-yloxyhexan-2-amine
CID 79570657
trans-(1R,2R)-N-methyl-2-propan-2-yloxycyclohexan-1-amine
CID 94302793

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yloxyhept-6-yn-2-amine?
The IUPAC name of N-methyl-1-propan-2-yloxyhept-6-yn-2-amine (CID 105179473) is N-methyl-1-propan-2-yloxyhept-6-yn-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-yloxyhept-6-yn-2-amine?
The canonical SMILES for N-methyl-1-propan-2-yloxyhept-6-yn-2-amine is C#CCCCC(COC(C)C)NC.
What is the InChIKey of N-methyl-1-propan-2-yloxyhept-6-yn-2-amine?
The InChIKey is JXZKXQHMBHVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-8-11(12-4)9-13-10(2)3/h1,10-12H,6-9H2,2-4H3.
What are the key properties of N-methyl-1-propan-2-yloxyhept-6-yn-2-amine?
N-methyl-1-propan-2-yloxyhept-6-yn-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yloxyhept-6-yn-2-amine is sourced from PubChem (CID 105179473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).