N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine

C14H29NO — CID 134907545

IUPACN-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine
SMILESCCCCC1(CC)CC1(NC(C)(C)C)OC
InChIInChI=1S/C14H29NO/c1-7-9-10-13(8-2)11-14(13,16-6)15-12(3,4)5/h15H,7-11H2,1-6H3
InChIKeyGFFLOOATODAVIG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.71
Rot. Bonds6

About N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine

N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine (PubChem CID 134907545) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine
PubChem CID134907545
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine
SMILESCCCCC1(CC)CC1(NC(C)(C)C)OC
InChIInChI=1S/C14H29NO/c1-7-9-10-13(8-2)11-14(13,16-6)15-12(3,4)5/h15H,7-11H2,1-6H3
InChIKeyGFFLOOATODAVIG-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
The IUPAC name of N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine (CID 134907545) is N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
The canonical SMILES for N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine is CCCCC1(CC)CC1(NC(C)(C)C)OC.
What is the InChIKey of N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
The InChIKey is GFFLOOATODAVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-10-13(8-2)11-14(13,16-6)15-12(3,4)5/h15H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine?
N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine is sourced from PubChem (CID 134907545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).